Geometry & MOs

Info

ID:

215687

PubChem CID:

85085085

Reduced:

O10N11C65H89 (1)

Stoich.:

A10B11C65D89 (1)

Weight, g/mol:

1184.920811

ΔHf, kcal/mol:

-446.22

Dipole, Da:

3.52

IP(EA), eV:

 -8.33(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methoxy-2-[3-(5-methoxy-1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;tetrakis(3,5-ditert-butylphenyl)boranuide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)N)C(=O)N)NC(=O)CC(C(CC3CCCCC3)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(CC6=CC=C(C=C6)N)NC(=O)C)O

DOS

IR

Vibrations