Geometry & MOs

Info

ID:	35840
PubChem CID:	7980391
Reduced:	SN2F3O4H11C17 (1)
Stoich.:	AB2C3D4E11F17 (1)
Weight, g/mol:	391.02193
ΔH_f, kcal/mol:	-207.02
Dipole, Da:	4.03
IP(EA), eV:	-9.23(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F

DOS

IR

Vibrations