Geometry & MOs

Info

ID:	84685
PubChem CID:	49869303
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	7.03
IP(EA), eV:	-8.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)C4=CC=CN4C5=C(N3)C=C(C=C5)OC

DOS

IR

Vibrations