Geometry & MOs

Info

ID:

221609

PubChem CID:

85285709

Reduced:

SN2O7C29H38 (1)

Stoich.:

AB2C7D29E38 (1)

Weight, g/mol:

558.334525

ΔHf, kcal/mol:

-290.55

Dipole, Da:

4.16

IP(EA), eV:

 -9.04(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-(4-ethenoxyphenyl)-13-methyl-3-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC)SC(=O)C

DOS

IR

Vibrations