Geometry & MOs

Info

ID:	424291
PubChem CID:	135122077
Reduced:	NSnCl2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	402.349781
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	7.34
IP(EA), eV:	-8.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-hydroxy-4,4,10,13-tetramethyl-17-(4-methylpentyl)-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)CC(=NC1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3C2=O)O[Sn](C)(C)Cl

DOS

IR

Vibrations