Geometry & MOs

Info

ID:

411759

PubChem CID:

135084593

Reduced:

IrON3C32H48 (1)

Stoich.:

ABC3D32E48 (1)

Weight, g/mol:

580.296864

ΔHf, kcal/mol:

43.91

Dipole, Da:

30.66

IP(EA), eV:

 -9.23(-3.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-tert-butyl 12-O-methyl (4S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-10-phenylmethoxy-2,5-diazatricyclo[7.4.0.04,6]trideca-1(9),10,12-triene-5,12-dicarboxylate

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]N(C=C2)CC[C@@H]3COC(=N3)C45CC6CC(C4)CC(C6)C5.[Ir+3]

DOS

IR

Vibrations