Geometry & MOs

Info

ID:	17027
PubChem CID:	482420
Reduced:	BrSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	387.98811
ΔH_f, kcal/mol:	16.98
Dipole, Da:	2.97
IP(EA), eV:	-8.64(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromo-3-methylanilino)-7-methylsulfanylquinoline-5,8-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC)Br

DOS

IR

Vibrations