Geometry & MOs

Info

ID:

335931

PubChem CID:

127254938

Reduced:

BrNSO3H20C31 (1)

Stoich.:

ABCD3E20F31 (1)

Weight, g/mol:

559.155036

ΔHf, kcal/mol:

40.04

Dipole, Da:

6.66

IP(EA), eV:

 -8.35(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-7-chloro-2-(4-methoxyphenyl)-1-(4-methylbenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)Br)C(=O)C7=CC=CS7

DOS

IR

Vibrations