Geometry & MOs

Info

ID:	133508
PubChem CID:	51538102
Reduced:	O3N4C21H35 (1)
Stoich.:	A3B4C21D35 (1)
Weight, g/mol:	323.054691
ΔH_f, kcal/mol:	-129.58
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756181
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-chlorophenyl)methyl]-2-(2-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC[NH+](CC(=O)NC1=CC=C(C=C1)NC(=O)C)[C@H](C)C(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations