Geometry & MOs

Info

ID:	81228
PubChem CID:	49854485
Reduced:	SN4O5C24H26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	516.146741
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	9.05
IP(EA), eV:	-8.83(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations