Geometry & MOs

Info

ID:	289317
PubChem CID:	104344997
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	5.47
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylethanol

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)SCCO

DOS

IR

Vibrations