Geometry & MOs

Info

ID:	395202
PubChem CID:	135024897
Reduced:	ClC31H35 (1)
Stoich.:	AB31C35 (1)
Weight, g/mol:	528.269816
ΔH_f, kcal/mol:	27.82
Dipole, Da:	2.28
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-octyl-2-[(E)-4-phenylbut-3-en-2-yl]-3H-inden-5-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCC1C2=C(C=CC(=C2)Cl)C(=C1C(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations