Geometry & MOs

Info

ID:	194647
PubChem CID:	78567833
Reduced:	ClO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	387.026682
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	8.17
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)N2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations