Geometry & MOs

Info

ID:	67678
PubChem CID:	46506950
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	9.5
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2NC(=S)N(C3=O)CCC(=O)O

DOS

IR

Vibrations