Geometry & MOs

Info

ID:	357508
PubChem CID:	127294141
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	2.04
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations