Geometry & MOs

Info

ID:	20571
PubChem CID:	584648
Reduced:	SN2O5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	334.062343
ΔH_f, kcal/mol:	-146.16
Dipole, Da:	5.03
IP(EA), eV:	-9.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations