Geometry & MOs

Info

ID:	201827
PubChem CID:	79589547
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	6.83
IP(EA), eV:	-9.35(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)NC2CCC(=O)NC2)C)N

DOS

IR

Vibrations