Geometry & MOs

Info

ID:	21370
PubChem CID:	588040
Reduced:	SN2O3C7H8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	200.025563
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	4.62
IP(EA), eV:	-9.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC=CC(=O)N1

DOS

IR

Vibrations