Geometry & MOs

Info

ID:	85735
PubChem CID:	49878625
Reduced:	N3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	452.00416
ΔH_f, kcal/mol:	46.12
Dipole, Da:	3.99
IP(EA), eV:	-8.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=NC3=C2N=C4N3CCCCC4

DOS

IR

Vibrations