Geometry & MOs

Info

ID:	268226
PubChem CID:	103598476
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	62.47
Dipole, Da:	2.1
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations