Geometry & MOs

Info

ID:	177836
PubChem CID:	76239962
Reduced:	SF2N3O5C19H19 (1)
Stoich.:	AB2C3D5E19F19 (1)
Weight, g/mol:	356.076553
ΔH_f, kcal/mol:	-225.35
Dipole, Da:	7.45
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylthiophen-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)F

DOS

IR

Vibrations