Geometry & MOs

Info

ID:

26038

PubChem CID:

636784

Reduced:

O10C31H52 (1)

Stoich.:

A10B31C52 (1)

Weight, g/mol:

527.293663

ΔHf, kcal/mol:

-488.78

Dipole, Da:

4.37

IP(EA), eV:

 -9.12(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,9,10,14-tetraethyl-4,15-dimethyl-26,27,28-triazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(24),2,4,6(28),7,9,11,13(26),14,16,18(25),19,22-tridecaen-21-ylidene)methanol

Drug info:

PubChemData

Smile

CC/C=C/C=C/CC[C@@]1(C[C@@H]([C@@H](CC[C@@H]2C[C@H](C[C@](O2)(CC(=O)O1)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC)O)OC)C)O)C

DOS

IR

Vibrations