Geometry & MOs

Info

ID:

47194

PubChem CID:

10530587

Reduced:

O3N4H32C34 (1)

Stoich.:

A3B4C32D34 (1)

Weight, g/mol:

544.394787

ΔHf, kcal/mol:

-32.75

Dipole, Da:

4.96

IP(EA), eV:

 -8.85(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(phenylmethoxymethyl)-3-tetradecylideneoxolan-2-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H]2[C@@](C[C@@H]3N2C(=O)[C@H](N4C3=NC5=CC=CC=C5C4=O)CC6=CC=CC=C6)(C7=CC=CC=C71)C(C)(C)C=C

DOS

IR

Vibrations