Geometry & MOs

Info

ID:	350406
PubChem CID:	127277768
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	399.084197
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	5.12
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-thiomorpholin-4-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NC2=C(N=CS2)C3=CC=CC=C3

DOS

IR

Vibrations