Geometry & MOs

Info

ID:	31951
PubChem CID:	3724742
Reduced:	FSN4O4H19C27 (1)
Stoich.:	ABC4D4E19F27 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	6.05
IP(EA), eV:	-8.34(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)F)SC3=N2)OC

DOS

IR

Vibrations