Geometry & MOs

Info

ID:

432594

PubChem CID:

135172728

Reduced:

O4N6C29H36 (1)

Stoich.:

A4B6C29D36 (1)

Weight, g/mol:

582.319268

ΔHf, kcal/mol:

-126.81

Dipole, Da:

0.62

IP(EA), eV:

 -8.23(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-(3-hydroxypropanoyloxy)ethoxy]-5-[4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC2=CC(=CC=C2)NC(=O)OC(C)(C)C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C

DOS

IR

Vibrations