Geometry & MOs

Info

ID:	54342
PubChem CID:	17049797
Reduced:	FOSCl2N7H14C17 (1)
Stoich.:	ABCD2E7F14G17 (1)
Weight, g/mol:	380.069159
ΔH_f, kcal/mol:	56.19
Dipole, Da:	6.23
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitro-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N/NC2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)F

DOS

IR

Vibrations