Geometry & MOs

Info

ID:	379986
PubChem CID:	134964430
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	25.6
Dipole, Da:	3.17
IP(EA), eV:	-9.5(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E,4S,5S)-5-hydroxy-4-phenylhex-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H]2C=CC1C([C@H]2C=O)C3=CC=CC=C3

DOS

IR

Vibrations