Geometry & MOs

Info

ID:	138336
PubChem CID:	52350488
Reduced:	ClOSN4C19H21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	382.030954
ΔH_f, kcal/mol:	57.33
Dipole, Da:	1.67
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-2-oxoethyl)sulfanyl-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(O1)C2=CC(=CC=C2)Cl)N3CCN(CC3)CC4=CSC=C4

DOS

IR

Vibrations