Geometry & MOs

Info

ID:	237373
PubChem CID:	92718921
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	7.32
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-oxo-3-[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl]oxyprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])[C@H]([C@H]2CC3=CC=CC=C3O2)N

DOS

IR

Vibrations