Geometry & MOs

Info

ID:	36885
PubChem CID:	8014243
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	346.087495
ΔH_f, kcal/mol:	-58.1
Dipole, Da:	6.48
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

DOS

IR

Vibrations