Geometry & MOs

Info

ID:	403579
PubChem CID:	135060906
Reduced:	O2H18C19 (2)
Stoich.:	A2B18C19 (2)
Weight, g/mol:	558.14057
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	1.49
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-4-(4-bromophenyl)-2,5-diethyl-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=C(C=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations