Geometry & MOs

Info

ID:

215111

PubChem CID:

85084168

Reduced:

SN6O8C35H40 (1)

Stoich.:

AB6C8D35E40 (1)

Weight, g/mol:

704.43018

ΔHf, kcal/mol:

-269.05

Dipole, Da:

5.26

IP(EA), eV:

 -8.84(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3,3,5-tetramethyl-2-[3-(1,3,3,5-tetramethylindol-1-ium-2-yl)prop-2-enylidene]indole;tetraphenylboranuide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)N

DOS

IR

Vibrations