Geometry & MOs

Info

ID:	128981
PubChem CID:	51065039
Reduced:	SO2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	468.048146
ΔH_f, kcal/mol:	22.58
Dipole, Da:	6.65
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-methyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=C2C#N)N)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations