Geometry & MOs

Info

ID:	133364
PubChem CID:	51515811
Reduced:	SN2O4H11C18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	357.08215
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	8.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.202731
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)C(=O)[O-])OCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations