Geometry & MOs

Info

ID:

219189

PubChem CID:

85091377

Reduced:

N7O11C31H47 (1)

Stoich.:

A7B11C31D47 (1)

Weight, g/mol:

702.184123

ΔHf, kcal/mol:

-498.58

Dipole, Da:

6.88

IP(EA), eV:

 -9.71(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid;(2,4-dichlorophenoxy)methyl-dimethyl-octylazanium

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CN

DOS

IR

Vibrations