Geometry & MOs

Info

ID:	391975
PubChem CID:	135011520
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-26.89
Dipole, Da:	4.21
IP(EA), eV:	-9.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E,3S)-3-hydroxy-4-methyl-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

C/C=C/CCCNS(=NC(=O)C1=CC=CC=C1)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations