Geometry & MOs

Info

ID:

179746

PubChem CID:

76525490

Reduced:

NO3C20H23 (1)

Stoich.:

AB3C20D23 (1)

Weight, g/mol:

1113.62629

ΔHf, kcal/mol:

-65.79

Dipole, Da:

1.94

IP(EA), eV:

 -8.77(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[26-amino-3-(4-aminobutyl)-15-(1-hydroxyethyl)-6-[2-(4-hydroxyphenyl)ethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-octoxyphenyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)C(=CC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations