Geometry & MOs

Info

ID:	124375
PubChem CID:	50880904
Reduced:	Cl2N2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	458.154325
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	7.58
IP(EA), eV:	-9.62(-1.38)
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]-2-(2-chloro-4,6-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)[N+](=O)[O-])C)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations