Geometry & MOs

Info

ID:	224999
PubChem CID:	85735464
Reduced:	BrNSO4C6H8 (1)
Stoich.:	ABCD4E6F8 (1)
Weight, g/mol:	278.984481
ΔH_f, kcal/mol:	-152.92
Dipole, Da:	5.04
IP(EA), eV:	-10.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-chloro-7-(trifluoromethyl)-4aH-quinoxaline-2-thione

Drug info:

PubChemData

Smile

CC1(C(=O)N(S1(=O)=O)C(=O)CBr)C

DOS

IR

Vibrations