Geometry & MOs

Info

ID:	357556
PubChem CID:	127294219
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	362.071862
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	7.42
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)C2=CC=CC3=C2NN=C3

DOS

IR

Vibrations