Geometry & MOs

Info

ID:	214205
PubChem CID:	84974625
Reduced:	N3O4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760507
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)C1=C(C(=C(N1)C)C(=O)OC)C

DOS

IR

Vibrations