Geometry & MOs

Info

ID:	302454
PubChem CID:	124361807
Reduced:	ClSO2N5C23H24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	433.167794
ΔH_f, kcal/mol:	16.0
Dipole, Da:	4.52
IP(EA), eV:	-9.31(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3aS)-1-acetyl-7-methyl-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations