Geometry & MOs

Info

ID:	285745
PubChem CID:	104124291
Reduced:	SO2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(oxan-4-ylsulfanyl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)SC2=NC=C(C=N2)C)C(=O)O

DOS

IR

Vibrations