Geometry & MOs

Info

ID:

440704

PubChem CID:

135231050

Reduced:

N8H22C33 (1)

Stoich.:

A8B22C33 (1)

Weight, g/mol:

651.424737

ΔHf, kcal/mol:

333.77

Dipole, Da:

3.8

IP(EA), eV:

 -7.59(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[2-[2-methyl-4-[2-methyl-1-(1-prop-2-enyltriazol-4-yl)propan-2-yl]oxybutan-2-yl]oxyethoxy]-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

C=C1/C=C\C=C/CC2=NC1=NC3=C4C=CC=CC4=C(N3)N=C5C6=CC=CC=C6C(=N5)N=C7C8=CC=CC=C8C(=N2)N7

DOS

IR

Vibrations