Geometry & MOs

Info

ID:	21904
PubChem CID:	593355
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	6.38
IP(EA), eV:	-9.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)SCC(=O)OC

DOS

IR

Vibrations