Geometry & MOs

Info

ID:	133148
PubChem CID:	51484898
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	7.07
IP(EA), eV:	-8.36(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-(3-chloropyridin-2-yl)sulfanylpropanoyl]amino]-N-(2-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=C(C=CC=N3)Cl

DOS

IR

Vibrations