Geometry & MOs

Info

ID:

215647

PubChem CID:

85085028

Reduced:

SO5N9C24H36 (2)

Stoich.:

AB5C9D24E36 (2)

Weight, g/mol:

1124.899682

ΔHf, kcal/mol:

-335.97

Dipole, Da:

9.42

IP(EA), eV:

 -9.17(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O)C(=O)NC(CC=C)C(C(CC=C)C(=O)NC(C(C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCNCCCCN)O

DOS

IR

Vibrations