Geometry & MOs

Info

ID:	229707
PubChem CID:	87568580
Reduced:	ClN3O8C21H26 (1)
Stoich.:	AB3C8D21E26 (1)
Weight, g/mol:	283.088972
ΔH_f, kcal/mol:	-255.23
Dipole, Da:	43.61
IP(EA), eV:	-6.99(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl] methanesulfonate

Drug info:

PubChemData

Smile

CNC(=O)OC1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)C(CC2=CC(=C(C=C2)O)O)[NH3+])O.[Cl-]

DOS

IR

Vibrations