Geometry & MOs

Info

ID:	63302
PubChem CID:	26750548
Reduced:	BrFNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	8.36
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations