Geometry & MOs

Info

ID:	179739
PubChem CID:	76523668
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	389.080968
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	5.49
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2C=CN(C2C(=O)N(C1=O)C)CC(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations