Geometry & MOs

Info

ID:	207293
PubChem CID:	80373892
Reduced:	O2F3N4H9C11 (1)
Stoich.:	A2B3C4D9E11 (1)
Weight, g/mol:	303.040166
ΔH_f, kcal/mol:	-158.78
Dipole, Da:	1.73
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=NC=NN2)OCC(F)(F)F

DOS

IR

Vibrations