Geometry & MOs

Info

ID:

167446

PubChem CID:

74829234

Reduced:

SO5N10C38H50 (1)

Stoich.:

AB5C10D38E50 (1)

Weight, g/mol:

604.289998

ΔHf, kcal/mol:

-138.15

Dipole, Da:

5.36

IP(EA), eV:

 -8.44(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

magnesium;methyl 11,16-diethyl-4-hydroxy-12,17,21,26-tetramethyl-22-(3-oxopropyl)-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),5(26),8,10,12,14,17,19-octaene-3-carboxylate

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)N3CCCC3C(=O)NC(CC4=CNC5=CC=CC=C54)C=O)N

DOS

IR

Vibrations