Geometry & MOs

Info

ID:	161950
PubChem CID:	57393156
Reduced:	FSN4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	51.79
Dipole, Da:	7.34
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-(cyclohexylamino)-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)quinoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC3=NC=NC4=C3C=CC(=N4)C(C)C

DOS

IR

Vibrations