Geometry & MOs

Info

ID:	167779
PubChem CID:	74874061
Reduced:	FNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	277.998383
ΔH_f, kcal/mol:	-107.42
Dipole, Da:	4.53
IP(EA), eV:	-9.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-2-sulfanylidene-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)C=CC2=CC=CC=C2F

DOS

IR

Vibrations