Geometry & MOs

Info

ID:	400122
PubChem CID:	135045692
Reduced:	O5C15H28 (1)
Stoich.:	A5B15C28 (1)
Weight, g/mol:	272.041962
ΔH_f, kcal/mol:	-252.89
Dipole, Da:	1.58
IP(EA), eV:	-9.8(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfanylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\1/[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations