Geometry & MOs

Info

ID:	59679
PubChem CID:	24893213
Reduced:	N2O5C27H38 (1)
Stoich.:	A2B5C27D38 (1)
Weight, g/mol:	551.251917
ΔH_f, kcal/mol:	-210.28
Dipole, Da:	6.75
IP(EA), eV:	-9.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,6S,7Z,9S,10S,13S,14R,18R)-6-ethyl-3,9-dihydroxy-23-methoxy-10,13,22-trimethylspiro[2,11-dioxa-17-azahexacyclo[16.7.1.01,13.03,24.014,18.020,25]hexacosa-7,20(25),21,23-tetraene-26,1'-cyclopropane]-12,16,19-trione

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](COC(=O)CCCCC=C)NC(=O)[C@@H](CC=C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CO

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](COC(=O)CCCCC=C)NC(=O)[C@@H](CC=C)CC(=O)N1CC2=CC=CC=C2C[C@H]1CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):