Geometry & MOs

Info

ID:	43809
PubChem CID:	10321818
Reduced:	OF2N3C10H12 (2)
Stoich.:	AB2C3D10E12 (2)
Weight, g/mol:	456.153266
ΔH_f, kcal/mol:	-199.92
Dipole, Da:	2.65
IP(EA), eV:	-9.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl (2S,3S,4R,5R)-4-methyl-5-(4-nitrophenyl)-2-phenylpyrrolidine-2,3,4-tricarboxylate

Drug info:

PubChemData

Smile

C1[C@@H](N(C(=O)N1)CCCC(CCC2=NNN=N2)(F)F)/C=C/C(C(C3=CC=CC=C3)(F)F)O

DOS

IR

Vibrations