Geometry & MOs

Info

ID:

439394

PubChem CID:

135229168

Reduced:

N9O12C36H55 (1)

Stoich.:

A9B12C36D55 (1)

Weight, g/mol:

651.292258

ΔHf, kcal/mol:

-429.73

Dipole, Da:

9.08

IP(EA), eV:

 -8.93(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16-tetraen-6-yl] (2S)-2-(methylamino)propanoate

Drug info:

PubChemData

Smile

CC(=NC1=C(NC(=NC1=O)N)N=C)CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NC)C(=O)O

DOS

IR

Vibrations