Geometry & MOs

Info

ID:	268169
PubChem CID:	103598183
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	347.03516
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	1.46
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC(=O)NNC(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations