Geometry & MOs

Info

ID:	184203
PubChem CID:	77126656
Reduced:	SN2O4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	285.053175
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	2.98
IP(EA), eV:	-9.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)C=CC(=O)NCCC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations