Geometry & MOs

Info

ID:	400399
PubChem CID:	135047788
Reduced:	S2O6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-208.44
Dipole, Da:	1.77
IP(EA), eV:	-9.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-benzyl-3-hydroxypent-4-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(CCC=C)(C/C=C/COC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations