Geometry & MOs

Info

ID:

437538

PubChem CID:

135226525

Reduced:

PSN2O10H35C48 (1)

Stoich.:

ABC2D10E35F48 (1)

Weight, g/mol:

400.26136

ΔHf, kcal/mol:

-252.7

Dipole, Da:

6.0

IP(EA), eV:

 -8.98(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentyl-4-propoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC6=C(C=C5)C(=O)N(C6=O)C)OC(=O)C(=C)C)P7(=O)C8=CC=CC=C8C9=CC=CC=C9O7

DOS

IR

Vibrations