Geometry & MOs

Info

ID:	272926
PubChem CID:	103767681
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)NCCOCC(=O)N

DOS

IR

Vibrations