Geometry & MOs

Info

ID:	46131
PubChem CID:	10522282
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	357.099457
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	5.43
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2OC)CC(=O)N

DOS

IR

Vibrations