Geometry & MOs

Info

ID:	182192
PubChem CID:	76856615
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	404.120607
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	7.85
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2CCCCO2)C

DOS

IR

Vibrations