Geometry & MOs

Info

ID:	22710
PubChem CID:	598396
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	4.9
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)O)OC

DOS

IR

Vibrations