Geometry & MOs

Info

ID:

214890

PubChem CID:

85083806

Reduced:

N6O7C33H42 (1)

Stoich.:

A6B7C33D42 (1)

Weight, g/mol:

634.329439

ΔHf, kcal/mol:

-253.53

Dipole, Da:

3.53

IP(EA), eV:

 -8.7(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-(hydroxymethyl)-18,29-dimethoxy-3,14-bis(methoxymethyl)-6-undecacyclo[14.14.1.14,13.17,10.02,15.03,14.05,12.06,11.017,30.019,28.021,26]tritriaconta-8,17,19,21,23,25,27,29-octaenyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)NC(=O)OCC4=CC=CC=C4)C=O

DOS

IR

Vibrations