Geometry & MOs

Info

ID:	63220
PubChem CID:	26750182
Reduced:	SN2O6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	414.96223
ΔH_f, kcal/mol:	-201.24
Dipole, Da:	6.06
IP(EA), eV:	-9.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations