Geometry & MOs

Info

ID:

421330

PubChem CID:

135115791

Reduced:

O2N3C17H23 (1)

Stoich.:

A2B3C17D23 (1)

Weight, g/mol:

708.327148

ΔHf, kcal/mol:

-69.15

Dipole, Da:

3.04

IP(EA), eV:

 -8.9(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-17-hydroxy-3-(1H-indol-3-ylmethyl)-7-[3-(3-methoxyphenyl)propanoyl]-12-methyl-9-phenyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N(CCO)CC2=CN=C(N2)C)C

DOS

IR

Vibrations