Geometry & MOs

Info

ID:	172918
PubChem CID:	75572567
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	502.10381
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	2.83
IP(EA), eV:	-9.98(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,6-dimethylphenoxy)-N-[2-(2-butan-2-ylidenehydrazinyl)-5,7-dimethyl-1,3-benzothiazol-6-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(C2C3CC(C2C1=O)C4C3O4)O

DOS

IR

Vibrations