Geometry & MOs

Info

ID:	197315
PubChem CID:	78952000
Reduced:	OSC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	280.068177
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	2.08
IP(EA), eV:	-8.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=CC=CC=C2[C@@H](C)O)C

DOS

IR

Vibrations