Geometry & MOs

Info

ID:	209391
PubChem CID:	80664739
Reduced:	ClSF2N2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	202.050905
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	4.16
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloroethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CSC2=CC(=C(C=C2)F)F)Cl

DOS

IR

Vibrations