Geometry & MOs

Info

ID:	353601
PubChem CID:	127285178
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	5.23
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(1-tert-butylimidazol-2-yl)sulfanylacetyl]piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations