Geometry & MOs

Info

ID:	124358
PubChem CID:	50880230
Reduced:	OSN4C24H24 (1)
Stoich.:	ABC4D24E24 (1)
Weight, g/mol:	402.151433
ΔH_f, kcal/mol:	47.62
Dipole, Da:	5.51
IP(EA), eV:	-8.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC/C(=N\NC1=NC2=C(S1)C(=C(C(=C2)C)NC(=O)C3=CC=CC4=CC=CC=C43)C)/C

DOS

IR

Vibrations