Geometry & MOs

Info

ID:	401978
PubChem CID:	135053663
Reduced:	SnO2C22H46 (1)
Stoich.:	AB2C22D46 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	1.39
IP(EA), eV:	-9.4(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,3R,4R,5S)-3-butyl-2-methyl-5-phenylpyrrolidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC(/C(=C\CO)/[Sn](CCCC)(CCCC)CCCC)OC

DOS

IR

Vibrations