Geometry & MOs

Info

ID:

48755

PubChem CID:

11528298

Reduced:

SP2N13O20C64H89 (1)

Stoich.:

AB2C13D20E64F89 (1)

Weight, g/mol:

1452.819007

ΔHf, kcal/mol:

-722.51

Dipole, Da:

11.13

IP(EA), eV:

 -8.44(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[3,5-bis[2-[2,9-bis[[tert-butyl(dimethyl)silyl]methyl]-1,10-phenanthrolin-5-yl]ethynyl]phenyl]ethynyl]-9-[[tert-butyl(dimethyl)silyl]methyl]-1,10-phenanthrolin-2-yl]methyl-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N(CC(=O)N(CCCCP(=O)(O)O)CC(=O)N(CCC2=CNC3=CC=CC=C32)CC(=O)N(CC(=O)N(CCCP(=O)(O)O)CC(=O)N(CCC(C)C)CC(=O)N(CCS(=O)(=O)N)CC(=O)N)[C@@H](C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CNCCC5=CC=CC=C5

DOS

IR

Vibrations