Geometry & MOs

Info

ID:	124351
PubChem CID:	50880149
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	9.93
Dipole, Da:	5.86
IP(EA), eV:	-8.3(-0.84)
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]-3-methoxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1NC(=O)C3=CC4=CC=CC=C4C=C3OC)C)SC(=N2)NN=C(C)C

DOS

IR

Vibrations