Geometry & MOs

Info

ID:	161328
PubChem CID:	57391352
Reduced:	ClON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	404.094312
ΔH_f, kcal/mol:	54.12
Dipole, Da:	6.38
IP(EA), eV:	-9.4(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5E)-4-(1,3-benzodioxol-5-yl)-5-(4-methyl-3H-1,3-thiazol-2-ylidene)imidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC(=CC=C3)C(=O)N

DOS

IR

Vibrations