Geometry & MOs

Info

ID:	63567
PubChem CID:	26758640
Reduced:	NF2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	435.04815
ΔH_f, kcal/mol:	-227.68
Dipole, Da:	6.88
IP(EA), eV:	-9.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations