Geometry & MOs

Info

ID:

432746

PubChem CID:

135172883

Reduced:

F2N10O15C57H76 (1)

Stoich.:

A2B10C15D57E76 (1)

Weight, g/mol:

579.236936

ΔHf, kcal/mol:

-713.39

Dipole, Da:

11.54

IP(EA), eV:

 -9.01(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[but-3-ynyl-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]amino]propyl]-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

C[C@@H](C(N[C@@H](CC(=O)N)C(=O)N[C@@H](CCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NCCC(=O)N[C@H](CCC(=O)O)C(=O)O)O)N(C)C(=O)[C@H](C)NC(=O)CCCCCN4C(=O)C=CC4=O

DOS

IR

Vibrations