Geometry & MOs

Info

ID:	269981
PubChem CID:	103621634
Reduced:	FOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	245.062283
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	3.04
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-2-cyano-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)F)C2=CC=CS2)C(=O)N

DOS

IR

Vibrations