Geometry & MOs

Info

ID:

214647

PubChem CID:

85083337

Reduced:

MgPN3O14C18H28 (1)

Stoich.:

ABC3D14E18F28 (1)

Weight, g/mol:

565.351572

ΔHf, kcal/mol:

-678.47

Dipole, Da:

18.41

IP(EA), eV:

 -7.06(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-(4,6,6-trimethylhepta-2,4-dien-2-yl)-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.[Mg+2]

DOS

IR

Vibrations