Geometry & MOs

Info

ID:	132943
PubChem CID:	51449449
Reduced:	OSN5H15C18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	341.095989
ΔH_f, kcal/mol:	135.95
Dipole, Da:	5.69
IP(EA), eV:	-8.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S,4S)-5-cyano-3-methoxycarbonyl-4-(4-methylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydropyridin-2-olate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=NNC2=S)[C@H]3C=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations