Geometry & MOs

Info

ID:	336281
PubChem CID:	127255288
Reduced:	N5O5H11C15 (1)
Stoich.:	A5B5C11D15 (1)
Weight, g/mol:	564.100748
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	2.47
IP(EA), eV:	-9.3(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1',2'-bis(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=C1C#N)O)N2C=C3C(=NNC3=O)C(=C2)C(=O)OC

DOS

IR

Vibrations