Geometry & MOs

Info

ID:	354272
PubChem CID:	127286236
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	28.97
Dipole, Da:	4.44
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)NC2=CC3=C(C=C2)SC=N3

DOS

IR

Vibrations