Geometry & MOs

Info

ID:	277263
PubChem CID:	103827548
Reduced:	SN3O4C11H19 (1)
Stoich.:	AB3C4D11E19 (1)
Weight, g/mol:	319.156577
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	7.28
IP(EA), eV:	-9.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-amino-4-methylsulfonylbutanoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C(CCS(=O)(=O)C)N)C

DOS

IR

Vibrations