Geometry & MOs

Info

ID:	69089
PubChem CID:	46518239
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	9.39
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations