Geometry & MOs

Info

ID:	415501
PubChem CID:	135088497
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	9.02
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(N1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations