Geometry & MOs

Info

ID:	403597
PubChem CID:	135060929
Reduced:	NOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	486.186481
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	3.65
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-thiophen-3-yl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCC/C=C/C(=O)NC1CCCCC1

DOS

IR

Vibrations