Geometry & MOs

Info

ID:	81130
PubChem CID:	49854383
Reduced:	ClSO4N5H24C27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	529.178376
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	10.01
IP(EA), eV:	-8.88(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations