Geometry & MOs

Info

ID:	236101
PubChem CID:	92711540
Reduced:	ClOSN2H23C24 (1)
Stoich.:	ABCD2E23F24 (1)
Weight, g/mol:	422.121962
ΔH_f, kcal/mol:	5.06
Dipole, Da:	7.37
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-chlorophenyl)-1-phenyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)[C@H](N(CC3)C(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations