Geometry & MOs

Info

ID:	52416
PubChem CID:	12015275
Reduced:	OSN4H16C21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	396.00443
ΔH_f, kcal/mol:	94.99
Dipole, Da:	2.27
IP(EA), eV:	-8.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-1-prop-2-enylimidazo[4,5-b]quinoxaline-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=C(C=C2)N3C(=S)C(=N)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations