Geometry & MOs

Info

ID:	48256
PubChem CID:	10538364
Reduced:	FSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	5.61
IP(EA), eV:	-10.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-benzyl-4,5-dihydroimidazol-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)F

DOS

IR

Vibrations