Geometry & MOs

Info

ID:	121950
PubChem CID:	50787551
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	5.84
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)C(C)C

DOS

IR

Vibrations