Geometry & MOs

Info

ID:	268278
PubChem CID:	103598692
Reduced:	ClFNO3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.62
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Cl)NC(=O)C=CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations