Geometry & MOs

Info

ID:

32230

PubChem CID:

6436032

Reduced:

N2O2C27H40 (1)

Stoich.:

A2B2C27D40 (1)

Weight, g/mol:

666.393377

ΔHf, kcal/mol:

-52.25

Dipole, Da:

3.38

IP(EA), eV:

 -8.44(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

(2Z)-2-[(9E,13R,25E,33R,35R,36R,38Z)-38-(2-hydroxyethylidene)-14,30-bis(prop-2-enyl)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)/C)C

DOS

IR

Vibrations