Geometry & MOs

Info

ID:

219341

PubChem CID:

85098829

Reduced:

N3O10C46H65 (1)

Stoich.:

A3B10C46D65 (1)

Weight, g/mol:

820.255948

ΔHf, kcal/mol:

-402.42

Dipole, Da:

4.67

IP(EA), eV:

 -8.95(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);(4-phenylmethoxyphenyl)-[3,5,14,16-tetramethyl-15-[oxido-(4-phenylmethoxyphenyl)methylidene]-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,13,16,18,20-decaen-4-ylidene]methanolate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCCCCCCCCC(=O)OC)CO)O)NCC2C(C(C(N2C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations