Geometry & MOs

Info

ID:	323191
PubChem CID:	126673373
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	414.044106
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	2.06
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-(4-chlorobenzoyl)-2-methyl-1,3-thiazol-5-yl]-1-methyl-2-oxopyridin-4-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)C1=C(C=C(C=C1)Cl)N)N

DOS

IR

Vibrations