Geometry & MOs

Info

ID:	287980
PubChem CID:	104304145
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	282.057134
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	4.69
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)CC(C2=CC=CC=C2SC)O

DOS

IR

Vibrations