Geometry & MOs

Info

ID:	357544
PubChem CID:	127294207
Reduced:	SN2O2C6H9 (2)
Stoich.:	AB2C2D6E9 (2)
Weight, g/mol:	381.058376
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	4.57
IP(EA), eV:	-8.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)CN2C=CC=NC2=O

DOS

IR

Vibrations