Geometry & MOs

Info

ID:

15986

PubChem CID:

457252

Reduced:

N3O14C51H65 (1)

Stoich.:

A3B14C51D65 (1)

Weight, g/mol:

943.446654

ΔHf, kcal/mol:

-497.04

Dipole, Da:

6.01

IP(EA), eV:

 -8.33(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-30-[bis(2-ethoxyethyl)amino]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28(33),29,31,34-undecaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCOCCN(CCOCC)C1=CC2=C(C=C1)N=C3C4=C5C(=C(C6=C4C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O

DOS

IR

Vibrations