Geometry & MOs

Info

ID:	63549
PubChem CID:	26758600
Reduced:	NF3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	439.02308
ΔH_f, kcal/mol:	-268.61
Dipole, Da:	7.03
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations