Geometry & MOs

Info

ID:	63221
PubChem CID:	26750185
Reduced:	BrClFNO4H12C16 (1)
Stoich.:	ABCDE4F12G16 (1)
Weight, g/mol:	470.01472
ΔH_f, kcal/mol:	-146.45
Dipole, Da:	5.06
IP(EA), eV:	-9.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations