Geometry & MOs

Info

ID:	268246
PubChem CID:	103598567
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	372.105625
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	2.92
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(cyanomethyl)-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN(C)CC1=CC=CC(=C1)CNC(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations