Geometry & MOs

Info

ID:	335772
PubChem CID:	127254634
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	570.057169
ΔH_f, kcal/mol:	97.4
Dipole, Da:	11.53
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2,4-dichlorobenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC=C(C=C3)CN4C=NN=N4

DOS

IR

Vibrations