Geometry & MOs

Info

ID:	403578
PubChem CID:	135060905
Reduced:	O2C15H18 (2)
Stoich.:	A2B15C18 (2)
Weight, g/mol:	556.26136
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	1.48
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-phenyl-1,3-dioxolan-4-yl]-2-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl] benzoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@](O[C@H](O1)CC)(C2=CC(=C(CC2)C3=CC=CC=C3)OC(=O)C(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations