Geometry & MOs

Info

ID:	28839
PubChem CID:	829976
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	331.024932
ΔH_f, kcal/mol:	56.13
Dipole, Da:	3.7
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-fluorophenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC=N4

DOS

IR

Vibrations