Geometry & MOs

Info

ID:	147497
PubChem CID:	53787153
Reduced:	NSCl2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	3.16
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10S,13R,14S)-10,13-dimethyl-4,5,6,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-7,16-dione

Drug info:

PubChemData

Smile

CN(C)CCCSCCC1(CCCC1)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations