Geometry & MOs

Info

ID:	34186
PubChem CID:	7890233
Reduced:	N3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	5.84
IP(EA), eV:	-8.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])OCC

DOS

IR

Vibrations