Geometry & MOs

Info

ID:	161093
PubChem CID:	57390740
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	425.202465
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	3.07
IP(EA), eV:	-8.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C2=C(C3=CC=CC=C31)C4=C(C=C2)NC(=O)CSC4C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations