Geometry & MOs

Info

ID:

84486

PubChem CID:

49866787

Reduced:

PN8O10C19H25 (1)

Stoich.:

AB8C10D19E25 (1)

Weight, g/mol:

908.530228

ΔHf, kcal/mol:

-406.62

Dipole, Da:

11.05

IP(EA), eV:

 -9.37(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

magnesium;methyl (3S,21R,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O

DOS

IR

Vibrations