Geometry & MOs

Info

ID:	416252
PubChem CID:	135089264
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	7.76
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-ethylsulfonyl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC2=NC=C(C(=O)N2N1)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations