Geometry & MOs

Info

ID:	391903
PubChem CID:	135010768
Reduced:	OSnN3C25H37 (1)
Stoich.:	ABC3D25E37 (1)
Weight, g/mol:	462.179087
ΔH_f, kcal/mol:	52.43
Dipole, Da:	1.75
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3S,4S,5R)-5-naphthalen-2-yl-4-nitro-3-phenylpyrrolidine-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C#CCCOC1=NC(=CN=N1)C2=CC=CC=C2

DOS

IR

Vibrations