Geometry & MOs

Info

ID:	140084
PubChem CID:	52643473
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	419.026203
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	6.43
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-1-chloro-2-(3-ethoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OCC

DOS

IR

Vibrations