Geometry & MOs

Info

ID:	338525
PubChem CID:	127259217
Reduced:	ClNO3C5H6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	244.03402
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	5.4
IP(EA), eV:	-9.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-1H-imidazole-5-carbothioyl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

C/C(=C/O/N=C/C(=O)O)/Cl

DOS

IR

Vibrations