Geometry & MOs

Info

ID:	403588
PubChem CID:	135060918
Reduced:	FO4H31C32 (1)
Stoich.:	AB4C31D32 (1)
Weight, g/mol:	556.26136
ΔH_f, kcal/mol:	-137.22
Dipole, Da:	3.64
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-(4-phenylphenyl)-1,3-dioxolan-4-yl]-2-phenylcyclohexa-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)C4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations