Geometry & MOs

Info

ID:	273668
PubChem CID:	103771651
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	2.79
IP(EA), eV:	-9.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-thiophen-3-ylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)NCC(C1=CSC=C1)O

DOS

IR

Vibrations