Geometry & MOs

Info

ID:

412466

PubChem CID:

135085361

Reduced:

AuClNPO2H46C68 (1)

Stoich.:

ABCDE2F46G68 (1)

Weight, g/mol:

939.326617

ΔHf, kcal/mol:

201.84

Dipole, Da:

10.48

IP(EA), eV:

 -8.5(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-bis[(1S)-1-phenylethyl]-10,16-di(pyren-1-yl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N([C@@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C(O3)C(=CC2=CC=CC=C21)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl[Au]

DOS

IR

Vibrations