Geometry & MOs

Info

ID:	68310
PubChem CID:	46508166
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	389.044582
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	6.16
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-[5-oxo-2-sulfanylidene-1-[4-(trifluoromethoxy)phenyl]imidazolidin-4-ylidene]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)Cl)C

DOS

IR

Vibrations