Geometry & MOs

Info

ID:

177117

PubChem CID:

76137048

Reduced:

N3O3C10H14 (2)

Stoich.:

A3B3C10D14 (2)

Weight, g/mol:

746.356717

ΔHf, kcal/mol:

-215.07

Dipole, Da:

10.01

IP(EA), eV:

 -9.3(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[17-[3-(1,3-dioxoisoindol-2-yl)-2-(furan-3-yl)propoxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)OCCN1CCCC1C(=O)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C3CC(=O)N3

DOS

IR

Vibrations