Geometry & MOs

Info

ID:	264131
PubChem CID:	103431552
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	278.088912
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	3.03
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=NC=C(C(=N2)C)[C@H](C)O

DOS

IR

Vibrations