Geometry & MOs

Info

ID:	403587
PubChem CID:	135060916
Reduced:	ClO4H31C32 (1)
Stoich.:	AB4C31D32 (1)
Weight, g/mol:	498.220638
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-(4-fluorophenyl)-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)Cl)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations