Geometry & MOs

Info

ID:	81039
PubChem CID:	49854279
Reduced:	ClSO2N3C6H14 (1)
Stoich.:	ABC2D3E6F14 (1)
Weight, g/mol:	545.17329
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	8.99
IP(EA), eV:	-8.99(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(C[C@@H](C(=O)O)N)CNC(=S)N.Cl

DOS

IR

Vibrations