Geometry & MOs

Info

ID:	338418
PubChem CID:	127259110
Reduced:	SCl2N2O2C8H8 (1)
Stoich.:	AB2C2D2E8F8 (1)
Weight, g/mol:	336.077993
ΔH_f, kcal/mol:	-66.2
Dipole, Da:	0.96
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4,6-dimethoxypyrimidin-2-yl)sulfanyl-phenoxymethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=NC(=CC(=N1)Cl)Cl

DOS

IR

Vibrations