Geometry & MOs

Info

ID:	389929
PubChem CID:	134996087
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	234.071451
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	1.71
IP(EA), eV:	-9.72(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (3S)-3-hydroxy-5-phenylpent-4-ynethioate

Drug info:

PubChemData

Smile

C=C\1CCCCCC/C1=N\O

DOS

IR

Vibrations