Geometry & MOs

Info

ID:	133147
PubChem CID:	51484897
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	14.17
Dipole, Da:	7.75
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1CC1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations