Geometry & MOs

Info

ID:	402243
PubChem CID:	135055164
Reduced:	N3O6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	358.141638
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	8.32
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1R)-1-(furan-2-yl)-3-oxo-3-phenylpropyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(C[C@@H](C1=CC=CO1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations