Geometry & MOs

Info

ID:	424166
PubChem CID:	135121589
Reduced:	O3N5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	437.115775
ΔH_f, kcal/mol:	92.26
Dipole, Da:	4.42
IP(EA), eV:	-8.33(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-acetyl-2-oxo-3H-quinoxalin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=N/C2=NC3=CC=CC=C3N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations