Geometry & MOs

Info

ID:	49717
PubChem CID:	11533653
Reduced:	O12H24C25 (1)
Stoich.:	A12B24C25 (1)
Weight, g/mol:	516.154603
ΔH_f, kcal/mol:	-454.27
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-nitrophenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations