Geometry & MOs

Info

ID:	81227
PubChem CID:	49854484
Reduced:	ClSO4N5C24H26 (1)
Stoich.:	ABC4D5E24F26 (1)
Weight, g/mol:	482.162391
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	7.36
IP(EA), eV:	-9.0(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations