Geometry & MOs

Info

ID:

215709

PubChem CID:

85085130

Reduced:

O11N14C65H88 (1)

Stoich.:

A11B14C65D88 (1)

Weight, g/mol:

1240.657256

ΔHf, kcal/mol:

-334.7

Dipole, Da:

6.27

IP(EA), eV:

 -8.47(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[6-[6-[3-(11,16-diethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl)propanoylamino]hexyl-(2,3-dihydroxybenzoyl)amino]hexyl-(2,3-dihydroxybenzoyl)amino]hexyl]-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations