Geometry & MOs

Info

ID:	170062
PubChem CID:	75191156
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	443.166748
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	8.83
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6,7-dimethyl-3-oxo-2H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CO1)NC(=O)C2=CC=C(C=C2)C[N+]3=C4C=CC=CC4=[N+](C(=O)C3=O)CC=C

DOS

IR

Vibrations