Geometry & MOs

Info

ID:	372133
PubChem CID:	131293550
Reduced:	SO4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-148.94
Dipole, Da:	6.16
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-(methylamino)-2-oxo-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(CS2)(C(=O)O)O)C=C1

DOS

IR

Vibrations