Geometry & MOs

Info

ID:	146635
PubChem CID:	53721384
Reduced:	NO5F13H14C20 (1)
Stoich.:	AB5C13D14E20 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-748.15
Dipole, Da:	7.45
IP(EA), eV:	-10.47(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2S)-3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)CC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations