Geometry & MOs

Info

ID:	124364
PubChem CID:	50880521
Reduced:	BrNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	30.39
Dipole, Da:	3.83
IP(EA), eV:	-9.24(-1.15)
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-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=CC=C(O2)C#N)C)Br

DOS

IR

Vibrations