Geometry & MOs

Info

ID:	159829
PubChem CID:	57288796
Reduced:	SO5C23H26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	1.29
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-hydroxy-5-phenylpentanoate

Drug info:

PubChemData

Smile

C[C@]1([C@H]2C[C@H]([C@](C(C2)OC(=O)C3=CC=CC=C3)(C)O)OO1)CSC4=CC=CC=C4

DOS

IR

Vibrations