Geometry & MOs

Info

ID:

181583

PubChem CID:

76763267

Reduced:

SN6O8C24H37 (2)

Stoich.:

AB6C8D24E37 (2)

Weight, g/mol:

853.23218

ΔHf, kcal/mol:

-720.15

Dipole, Da:

6.15

IP(EA), eV:

 -8.56(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-bromo-2-[2-[3-[2-(7-bromo-1,1-dimethyl-3-pentylbenzo[e]indol-3-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethyl-3-pentylbenzo[e]indole

Drug info:

PubChemData

Smile

CCC(CSSCC(C(=O)CNC(CCC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)N)NC)C(=O)NC

DOS

IR

Vibrations