Geometry & MOs

Info

ID:	336049
PubChem CID:	127255056
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	586.229014
ΔH_f, kcal/mol:	42.7
Dipole, Da:	6.62
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-5',7'-dimethyl-2'-[4-(2-methylpropyl)benzoyl]-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(=C2CSCC2=N1)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations