Geometry & MOs

Info

ID:	48597
PubChem CID:	11109466
Reduced:	BrNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	316.053115
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	1.25
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1C=CN(C=C1Br)C(=O)OC

DOS

IR

Vibrations