Geometry & MOs

Info

ID:	163134
PubChem CID:	57646478
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	338.046963
ΔH_f, kcal/mol:	-91.81
Dipole, Da:	2.95
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-3-fluorophenyl)methylcarbamoyl]-1-methyl-4-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCSCC1=CC=C(C=C1)C(=O)OCC

DOS

IR

Vibrations