Geometry & MOs

Info

ID:	279671
PubChem CID:	103844624
Reduced:	SN3O4C13H23 (1)
Stoich.:	AB3C4D13E23 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-170.28
Dipole, Da:	2.67
IP(EA), eV:	-9.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-hydroxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=CN1C)S(=O)(=O)N)CO

DOS

IR

Vibrations