Geometry & MOs

Info

ID:	312754
PubChem CID:	126607843
Reduced:	Cl2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	482.222387
ΔH_f, kcal/mol:	-166.4
Dipole, Da:	3.54
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[(2-chloro-5-ethylphenyl)methoxy]-2'-methylidenespiro[2H-1-benzofuran-3,5'-cycloheptane]-1'-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)COC2=CC3=C(C=C2)C4(CCC(C(=C)CC4)CCCCC(=O)O)CO3)Cl

DOS

IR

Vibrations