Geometry & MOs

Info

ID:	124350
PubChem CID:	50880148
Reduced:	Cl2N2O3H12C15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	8.14
IP(EA), eV:	-9.87(-1.39)
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]-3-methoxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)C)[N+](=O)[O-]

DOS

IR

Vibrations