Geometry & MOs

Info

ID:	149945
PubChem CID:	53789627
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	456.16787
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	5.25
IP(EA), eV:	-8.33(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2R,4R)-2-[2-(3-methyl-2-prop-2-enoxycarbonyliminoimidazol-1-yl)ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C(=S)NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations