Geometry & MOs

Info

ID:

186544

PubChem CID:

77443964

Reduced:

NO3C26H35 (1)

Stoich.:

AB3C26D35 (1)

Weight, g/mol:

555.355988

ΔHf, kcal/mol:

-119.84

Dipole, Da:

5.94

IP(EA), eV:

 -9.17(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(8,24-dimethyl-11-oxa-6-azaheptacyclo[13.11.0.02,12.04,12.05,10.016,25.019,24]hexacosa-1,18-dien-21-yl)oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

Drug info:

PubChemData

Smile

CC1CC2C(C3CC4=C5C(CCC34O2)C6CC=C7CC(CCC7(C6C5=O)C)O)NC1

DOS

IR

Vibrations