Geometry & MOs

Info

ID:	193564
PubChem CID:	78406800
Reduced:	S2N3O4C10H13 (1)
Stoich.:	A2B3C4D10E13 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	1.19
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-oxo-6-(4-phenylpiperazine-1-carbonyl)-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)S(=O)(=O)NCC2=CC=CS2

DOS

IR

Vibrations