Geometry & MOs

Info

ID:

432699

PubChem CID:

135172835

Reduced:

N6O11C51H78 (1)

Stoich.:

A6B11C51D78 (1)

Weight, g/mol:

736.397519

ΔHf, kcal/mol:

-485.8

Dipole, Da:

9.05

IP(EA), eV:

 -9.11(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](CC2C1C2C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O

DOS

IR

Vibrations