Geometry & MOs

Info

ID:

180099

PubChem CID:

76577167

Reduced:

Na2S3N4O13C18H32 (1)

Stoich.:

A2B3C4D13E18F32 (1)

Weight, g/mol:

1108.330911

ΔHf, kcal/mol:

-502.51

Dipole, Da:

49.13

IP(EA), eV:

 -7.9(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;4-[[16,34-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-25-(propoxymethyl)-2,11,20,29,38,39,40-heptaza-37-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaen-6-yl]oxy]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC(COC(=O)C)OC(=O)C)C(=O)N(C(CNCCS(=O)(=O)[O-])NCCS(=O)(=O)[O-])O.[Na+].[Na+]

DOS

IR

Vibrations