Geometry & MOs

Info

ID:	132524
PubChem CID:	51374634
Reduced:	FN2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	243.059209
ΔH_f, kcal/mol:	38.78
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.467021
Charge, e:	-1

Chem-info

IUPAC name:

1-phenyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-olate

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)C2=[NH+]C(=C(N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations