Geometry & MOs

Info

ID:	335915
PubChem CID:	127254777
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	564.127442
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	4.56
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2-chlorobenzoyl)-5',7'-dimethyl-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations