Geometry & MOs

Info

ID:	145355
PubChem CID:	53506769
Reduced:	ClN2O2F3C14H14 (1)
Stoich.:	AB2C2D3E14F14 (1)
Weight, g/mol:	345.124609
ΔH_f, kcal/mol:	-215.93
Dipole, Da:	4.4
IP(EA), eV:	-9.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

DOS

IR

Vibrations