Geometry & MOs

Info

ID:	236102
PubChem CID:	92711541
Reduced:	ClOSN2H23C24 (1)
Stoich.:	ABCD2E23F24 (1)
Weight, g/mol:	436.137612
ΔH_f, kcal/mol:	5.96
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(3-chloro-4-methylphenyl)-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=C4Cl)C5=CC=CC=C5

DOS

IR

Vibrations