Geometry & MOs

Info

ID:

176413

PubChem CID:

76045302

Reduced:

N2O4C13H21 (4)

Stoich.:

A2B4C13D21 (4)

Weight, g/mol:

1139.542679

ΔHf, kcal/mol:

-814.07

Dipole, Da:

5.72

IP(EA), eV:

 -9.49(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-2,26-dimethyl-5,8,14,17,23-pentaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC(=O)C1)C(C)O)C)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O

DOS

IR

Vibrations