Geometry & MOs

Info

ID:	132620
PubChem CID:	51387815
Reduced:	SO3N4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	261.005791
ΔH_f, kcal/mol:	8.35
Dipole, Da:	1.99
IP(EA), eV:	-8.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboximidate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OC)/N=C2SCC(=O)[C@H](C#N)C(=N)C)C

DOS

IR

Vibrations