Geometry & MOs

Info

ID:	53581
PubChem CID:	14716755
Reduced:	O5C39H48 (1)
Stoich.:	A5B39C48 (1)
Weight, g/mol:	616.295552
ΔH_f, kcal/mol:	-190.48
Dipole, Da:	6.45
IP(EA), eV:	-8.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl] 3-chloro-4-[4-(4-octoxyphenyl)benzoyl]oxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)C4CCC(=CC4)C

DOS

IR

Vibrations