Geometry & MOs

Info

ID:	394607
PubChem CID:	135023281
Reduced:	NO9C37H49 (1)
Stoich.:	AB9C37D49 (1)
Weight, g/mol:	593.262482
ΔH_f, kcal/mol:	-335.62
Dipole, Da:	4.34
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10E,12S,13S,16E)-9-ethyl-4-hydroxy-12-(methoxymethoxy)-3,16-dimethyl-13-(2-methylprop-1-enyl)-14-oxa-20-azatricyclo[19.3.1.05,24]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23,25-pentone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](CCC(=O)C1=C(C(=CC2=C(C(=CC(=C21)OC)NC(=O)C/C=C(\C)/C(=O)O[C@@H](C=C(C)C)[C@H](C=C)OCOC)OC)C)O)C=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](CCC(=O)C1=C(C(=CC2=C(C(=CC(=C21)OC)NC(=O)C/C=C(\C)/C(=O)O[C@@H](C=C(C)C)[C@H](C=C)OCOC)OC)C)O)C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):