Geometry & MOs

Info

ID:

335960

PubChem CID:

127254967

Reduced:

ClNO5H28C36 (1)

Stoich.:

ABC5D28E36 (1)

Weight, g/mol:

554.08412

ΔHf, kcal/mol:

-63.27

Dipole, Da:

4.99

IP(EA), eV:

 -8.36(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R)-1-acetyl-2-(4-bromophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=C(C=CC(=C7)OC)OC

DOS

IR

Vibrations