Geometry & MOs

Info

ID:	389411
PubChem CID:	134992795
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	2.98
IP(EA), eV:	-10.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4R,5R)-4-bromo-5-hydroxy-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]([C@@H](C=C)OC)O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations