Geometry & MOs

Info

ID:	179159
PubChem CID:	76443430
Reduced:	OSN3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	515.361074
ΔH_f, kcal/mol:	4.01
Dipole, Da:	4.36
IP(EA), eV:	-8.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(furan-3-yl)-10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-2,17-diol

Drug info:

PubChemData

Smile

CCCN1CCCC2C1CC3=C(N(C4=C(C=CC2=C34)C)N(C=O)S)C

DOS

IR

Vibrations