Geometry & MOs

Info

ID:

432716

PubChem CID:

135172853

Reduced:

SN7O11C48H77 (1)

Stoich.:

AB7C11D48E77 (1)

Weight, g/mol:

756.460119

ΔHf, kcal/mol:

-532.75

Dipole, Da:

10.83

IP(EA), eV:

 -9.09(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-3-propylphenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)C)C(=O)O)OC)OC)N(C)C(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCN

DOS

IR

Vibrations