Geometry & MOs

Info

ID:	185920
PubChem CID:	77369732
Reduced:	SO2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	360.185608
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	5.2
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)CCC34)CSC5=CC=CC=C5

DOS

IR

Vibrations