Geometry & MOs

Info

ID:	18503
PubChem CID:	541940
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	172.067034
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	6.43
IP(EA), eV:	-9.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-sulfanyl-4H-imidazol-5-one

Drug info:

PubChemData

Smile

CCC(C)N1CC(=O)N=C1S

DOS

IR

Vibrations