Geometry & MOs

Info

ID:

412645

PubChem CID:

135085542

Reduced:

N4O5C40H58 (1)

Stoich.:

A4B5C40D58 (1)

Weight, g/mol:

816.30458

ΔHf, kcal/mol:

-244.89

Dipole, Da:

6.4

IP(EA), eV:

 -7.83(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2,6-dimethylphenyl)-[(2-diphenylphosphaniumylphenyl)methyl]azanide;lutetium(3+);methanidyl(trimethyl)silane;oxolane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H]3CCCC[C@H]3N/C=C\4/C=C(C=C(C4=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations