Geometry & MOs

Info

ID:	34188
PubChem CID:	7890236
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	8.87
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)CN4C=C(C=CC4=O)[N+](=O)[O-]

DOS

IR

Vibrations