Geometry & MOs

Info

ID:	129252
PubChem CID:	51072064
Reduced:	NPSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	273.067094
ΔH_f, kcal/mol:	-178.72
Dipole, Da:	2.72
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;2-(2-pyridin-4-ylethylsulfanyl)ethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2SCCC3=CC=NC=C3.OP(=O)(O)O

DOS

IR

Vibrations