Geometry & MOs

Info

ID:	48545
PubChem CID:	11108085
Reduced:	OH2S2C4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	13.47
Dipole, Da:	0.16
IP(EA), eV:	-8.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-butan-2-ylsulfanyl-5-methyl-1H-imidazole

Drug info:

PubChemData

Smile

C1=C(S/C(=C\2/SC=C(S2)C=O)/S1)C=O

DOS

IR

Vibrations