Geometry & MOs

Info

ID:

328349

PubChem CID:

126700774

Reduced:

O7C52H72 (1)

Stoich.:

A7B52C72 (1)

Weight, g/mol:

822.543455

ΔHf, kcal/mol:

-324.36

Dipole, Da:

4.19

IP(EA), eV:

 -8.88(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3,3-bis(hydroxymethyl)hexoxy]-5-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)CCCOC(=O)C(=C)C)OCCC(CC)(CO)CO)CCCOC(=O)C(=C)C)CC

DOS

IR

Vibrations