Geometry & MOs

Info

ID:	137358
PubChem CID:	52196243
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	348.069927
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	5.24
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)NC2=CC=CC(=C2)C(=O)NC

DOS

IR

Vibrations