Geometry & MOs

Info

ID:	386897
PubChem CID:	134983296
Reduced:	NC8H9 (1)
Stoich.:	AB8C9 (1)
Weight, g/mol:	352.170831
ΔH_f, kcal/mol:	49.67
Dipole, Da:	3.67
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(2Z,3S,4S)-4-hydroxy-2-(2-oxoheptylidene)-3,4-dihydrothiopyran-3-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1C[C@H](C=CC=C1)C#N

DOS

IR

Vibrations