Geometry & MOs

Info

ID:	84684
PubChem CID:	49869302
Reduced:	SO3N4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	5.1
IP(EA), eV:	-8.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6N=C5

DOS

IR

Vibrations