Geometry & MOs

Info

ID:	84686
PubChem CID:	49869304
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	5.17
IP(EA), eV:	-8.08(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations