Geometry & MOs

Info

ID:	84284
PubChem CID:	49865236
Reduced:	BrFNO3H17C22 (1)
Stoich.:	ABCD3E17F22 (1)
Weight, g/mol:	464.158351
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	6.46
IP(EA), eV:	-8.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[(2-naphthalen-1-ylacetyl)amino]oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=[N+](C=C3)CC4=CC=C(C=C4)F)/O2.[Br-]

DOS

IR

Vibrations