Geometry & MOs

Info

ID:	178964
PubChem CID:	76409939
Reduced:	SO2N4H10C11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	277.046548
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	6.81
IP(EA), eV:	-9.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(5-chloro-2,4-dioxo-1,3-diazinan-1-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CSC2C(=O)NC(=O)NN2

DOS

IR

Vibrations