Geometry & MOs

Info

ID:

432750

PubChem CID:

135172887

Reduced:

F2N7O10C54H63 (1)

Stoich.:

A2B7C10D54E63 (1)

Weight, g/mol:

583.268236

ΔHf, kcal/mol:

-453.08

Dipole, Da:

9.12

IP(EA), eV:

 -8.71(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CC[C@@H](C(=O)NCCC(=O)N[C@H](CCC(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)N)C(=O)CO

DOS

IR

Vibrations