Geometry & MOs

Info

ID:	39694
PubChem CID:	8141940
Reduced:	ClN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	425.222252
ΔH_f, kcal/mol:	-64.03
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754545
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[4-(diethylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations