Geometry & MOs

Info

ID:	276185
PubChem CID:	103821146
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	259.135448
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	4.13
IP(EA), eV:	-8.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C1CSCC(N1)CC(=O)NCC2=CC(=CC=C2)CO

DOS

IR

Vibrations