Geometry & MOs

Info

ID:	49920
PubChem CID:	11538112
Reduced:	ClSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	381.160103
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	3.59
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-fluoro-3-methoxyquinoxalin-2-yl)-4-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=CC=C4)Cl)C(=O)N2

DOS

IR

Vibrations