Geometry & MOs

Info

ID:

379529

PubChem CID:

134440522

Reduced:

FOCl2N7H20C21 (1)

Stoich.:

ABC2D7E20F21 (1)

Weight, g/mol:

779.321844

ΔHf, kcal/mol:

34.47

Dipole, Da:

5.2

IP(EA), eV:

 -9.02(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,5S,6S,16E,18E,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),16,18-pentaen-6-yl] (2R)-2-[3-ethylsulfanylpropanoyl(methyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)C(C)(C)O)C2=NC=NC(=C2)NC3=NN(C(=C3Cl)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations