Geometry & MOs

Info

ID:	271506
PubChem CID:	103681498
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-124.97
Dipole, Da:	4.11
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CC2=C(O1)C=CC(=C2)Cl)(CSC)O

DOS

IR

Vibrations