Geometry & MOs

Info

ID:	42337
PubChem CID:	8149450
Reduced:	SN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	7.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.852335
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-acetylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations