Geometry & MOs

Info

ID:	47071
PubChem CID:	10529361
Reduced:	ClN2O4C28H35 (1)
Stoich.:	AB2C4D28E35 (1)
Weight, g/mol:	498.90016
ΔH_f, kcal/mol:	-172.9
Dipole, Da:	3.61
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-bromo-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C)C(=O)OCC)C(C2=CC=C(C=C2)CCl)C3=C(C(=C(N3)C(=O)OCC)C)CC

DOS

IR

Vibrations