Geometry & MOs

Info

ID:	38081
PubChem CID:	8026841
Reduced:	OS2N5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	330.076433
ΔH_f, kcal/mol:	75.18
Dipole, Da:	6.21
IP(EA), eV:	-8.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] 2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations