Geometry & MOs

Info

ID:	124357
PubChem CID:	50880229
Reduced:	BrClNOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	6.48
Dipole, Da:	3.67
IP(EA), eV:	-9.53(-1.21)
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]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)Br)C#N

DOS

IR

Vibrations