Geometry & MOs

Info

ID:	396221
PubChem CID:	135027737
Reduced:	FN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-119.16
Dipole, Da:	1.23
IP(EA), eV:	-9.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S,5R)-3-(4-chlorophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@@H](N1)C(=O)OC)C2=CC=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations