Geometry & MOs

Info

ID:	124346
PubChem CID:	50880118
Reduced:	OSN4H24C25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	442.182733
ΔH_f, kcal/mol:	57.91
Dipole, Da:	1.83
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)SC(=N2)NN=C(C)C

DOS

IR

Vibrations