Geometry & MOs

Info

ID:

45216

PubChem CID:

10509621

Reduced:

N7O10C41H61 (1)

Stoich.:

A7B10C41D61 (1)

Weight, g/mol:

811.818245

ΔHf, kcal/mol:

-466.98

Dipole, Da:

7.64

IP(EA), eV:

 -9.26(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrapotassium;(1,1,1',1'-tetramethyl-5',6,6'-trisulfonatooxy-3,3'-spirobi[2H-indene]-5-yl) sulfate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CCCN)NC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations