Geometry & MOs

Info

ID:	17425
PubChem CID:	497696
Reduced:	FO2S2N4H9C15 (1)
Stoich.:	AB2C2D4E9F15 (1)
Weight, g/mol:	360.015096
ΔH_f, kcal/mol:	68.95
Dipole, Da:	2.04
IP(EA), eV:	-9.46(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methylsulfanyl]-7-nitro-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2=NN=C3N2C4=C(S3)C=CC(=C4)[N+](=O)[O-])F

DOS

IR

Vibrations