Geometry & MOs

Info

ID:

148559

PubChem CID:

53788226

Reduced:

N6O6C21H26 (1)

Stoich.:

A6B6C21D26 (1)

Weight, g/mol:

915.913442

ΔHf, kcal/mol:

-130.86

Dipole, Da:

4.66

IP(EA), eV:

-9.12(-1.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

bis(phosphanyl)phosphanyl-[13-bis(phosphanyl)phosphanyl-4-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]-10-(diphosphanyl)-6-[diphosphanyl(phosphanyl)phosphanyl]-3-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-phosphanylphosphane;ethane

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(N1)C(=O)N2CCOCC2)C=CC=C3C(=NN(C3=O)C)C(=O)N4CCOCC4

DOS

IR

Vibrations