Geometry & MOs

Info

ID:	159416
PubChem CID:	57280107
Reduced:	BrNPS2O3C4H7 (1)
Stoich.:	ABCD2E3F4G7 (1)
Weight, g/mol:	429.243457
ΔH_f, kcal/mol:	-194.81
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bR,9aR,9bR,11aS)-1-(2-chlorophenoxy)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1COP(=S)(OC1)N(C=O)SBr

DOS

IR

Vibrations