Geometry & MOs

Info

ID:	64503
PubChem CID:	29201820
Reduced:	S3O4N5C18H19 (1)
Stoich.:	A3B4C5D18E19 (1)
Weight, g/mol:	424.085971
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	9.22
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-chloroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=C(S2)NC3=CC=CC=C3OC

DOS

IR

Vibrations