Geometry & MOs

Info

ID:

169900

PubChem CID:

75164581

Reduced:

SN4C8O9H14 (1)

Stoich.:

AB4C8D9E14 (1)

Weight, g/mol:

995.54804

ΔHf, kcal/mol:

-359.33

Dipole, Da:

6.69

IP(EA), eV:

 -10.78(-1.39)

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-pentoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N.OS(=O)(=O)O

DOS

IR

Vibrations