Geometry & MOs

Info

ID:

186543

PubChem CID:

77443886

Reduced:

N4O19C36H50 (1)

Stoich.:

A4B19C36D50 (1)

Weight, g/mol:

409.261694

ΔHf, kcal/mol:

-839.02

Dipole, Da:

10.47

IP(EA), eV:

 -10.32(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-hydroxy-8,24-dimethyl-11-oxa-6-azaheptacyclo[13.11.0.02,12.04,12.05,10.016,25.019,24]hexacosa-1,18-dien-26-one

Drug info:

PubChemData

Smile

CC(NC1C(CC(OC1CCCO)(C(=O)O)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OC4CC(CC(C4O)NC(=O)C5CC(=O)NC(=O)N5)C(=O)O)CO)O)O)O

DOS

IR

Vibrations