Geometry & MOs

Info

ID:

221703

PubChem CID:

85286057

Reduced:

N2O7C34H60 (1)

Stoich.:

A2B7C34D60 (1)

Weight, g/mol:

608.272331

ΔHf, kcal/mol:

-283.54

Dipole, Da:

4.18

IP(EA), eV:

 -7.47(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;4-N,4-N,5-N,5-N,18-N,18-N,19-N,19-N-octamethyl-2,7,16,21,29,31-hexaza-30,32-diazanidaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1,3,5,7,9,11,13,15(31),16,18,20,22(29),23,25,27-pentadecaene-4,5,18,19-tetramine

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CCN(C)CC)C)C)C

DOS

IR

Vibrations