Geometry & MOs

Info

ID:	403586
PubChem CID:	135060915
Reduced:	O5C33H34 (1)
Stoich.:	A5B33C34 (1)
Weight, g/mol:	514.191087
ΔH_f, kcal/mol:	-131.76
Dipole, Da:	1.11
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-5-[(2S,4S,5S)-2,5-diethyl-4-phenyl-1,3-dioxolan-4-yl]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)OCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations