Geometry & MOs

Info

ID:

169904

PubChem CID:

75165917

Reduced:

N9O10C49H73 (1)

Stoich.:

A9B10C49D73 (1)

Weight, g/mol:

961.56369

ΔHf, kcal/mol:

-454.27

Dipole, Da:

9.79

IP(EA), eV:

 -9.07(-0.1)

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-octoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C3CC(CN3C(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC2=O)C(C)O)CCC5=CC=C(C=C5)O)CCCN)N

DOS

IR

Vibrations