Geometry & MOs

Info

ID:	389897
PubChem CID:	134995819
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	1.65
IP(EA), eV:	-9.53(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-4-chloro-3-hydroxy-5-phenylpentanoate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H](CCCO1)C=C

DOS

IR

Vibrations