Geometry & MOs

Info

ID:

169903

PubChem CID:

75165715

Reduced:

O13C24H36 (1)

Stoich.:

A13B24C36 (1)

Weight, g/mol:

947.54804

ΔHf, kcal/mol:

-580.55

Dipole, Da:

7.52

IP(EA), eV:

 -9.44(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[26-amino-3-(3-aminopropyl)-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

CCC(C)C(=O)C1=C(C(=C(C(=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)C)O)C)O

DOS

IR

Vibrations