Geometry & MOs

Info

ID:	21933
PubChem CID:	593928
Reduced:	SCl2N2O2C12H12 (1)
Stoich.:	AB2C2D2E12F12 (1)
Weight, g/mol:	317.999654
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	8.13
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CSC(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations