Geometry & MOs

Info

ID:	44312
PubChem CID:	10502659
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	4.65
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,13R,21R)-22-(3-methylbut-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol

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

C[C@@H](C1=CC=CC=C1)NC(=O)N([C@@H](C)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC

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

C[C@@H](C1=CC=CC=C1)NC(=O)N([C@@H](C)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):