Geometry & MOs

Info

ID:	313074
PubChem CID:	126611662
Reduced:	SO2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	431.282429
ΔH_f, kcal/mol:	1.69
Dipole, Da:	6.97
IP(EA), eV:	-8.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(13S,17S)-17-[benzyl(methyl)amino]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]propanal

Drug info:

PubChemData

Smile

CCSC1=CC(=CC2=C1N=C(N2CC3=CC=CC=C3)C)C4=CN(C(=O)C(=C4)OC)C

DOS

IR

Vibrations