Geometry & MOs

Info

ID:	236103
PubChem CID:	92711547
Reduced:	ClOSN2C25H25 (1)
Stoich.:	ABCD2E25F25 (1)
Weight, g/mol:	436.137612
ΔH_f, kcal/mol:	-4.5
Dipole, Da:	4.41
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-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

CC1=C(C=C(C=C1)NC(=O)N2CCC3=C([C@@H]2C4=CC=CC=C4)SC5=C3CCCC5)Cl

DOS

IR

Vibrations