Geometry & MOs

Info

ID:

309124

PubChem CID:

126537939

Reduced:

NH21C22 (1)

Stoich.:

AB21C22 (1)

Weight, g/mol:

953.509648

ΔHf, kcal/mol:

88.96

Dipole, Da:

1.45

IP(EA), eV:

 -8.09(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(12E)-1-hydroxy-10,11-dimethoxy-14,16-dimethyl-3-oxo-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-17-yl] 2-[2-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(C(=C)C3=CC=CC=C3C2=C)C)C=C

DOS

IR

Vibrations