Geometry & MOs

Info

ID:

411836

PubChem CID:

135084681

Reduced:

AuClNPO4H55C62 (1)

Stoich.:

ABCDE4F55G62 (1)

Weight, g/mol:

907.379046

ΔHf, kcal/mol:

69.93

Dipole, Da:

10.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.121548

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6S)-5,6-dimethoxy-4,4,7,7-tetranaphthalen-2-yl-N,N-bis[(1S)-1-phenylethyl]-1,3,2-dioxaphosphepan-2-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)[PH+]3OC([C@H]([C@@H](C(O3)(C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6)OC)OC)(C8=CC9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C=C1.Cl[Au]

DOS

IR

Vibrations