Geometry & MOs

Info

ID:	225611
PubChem CID:	85856313
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	253.052112
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	2.62
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-cyano-2-methylsulfinylpyrimidin-4-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC(=NC=C1C#N)SC

DOS

IR

Vibrations