Geometry & MOs

Info

ID:	192504
PubChem CID:	78278373
Reduced:	SN2O3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	196.097368
ΔH_f, kcal/mol:	-71.56
Dipole, Da:	8.64
IP(EA), eV:	-10.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(3-methylpiperidin-1-yl)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1C=CC(=O)N=C1

DOS

IR

Vibrations