Geometry & MOs

Info

ID:	402463
PubChem CID:	135056053
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	355.1606
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	1.49
IP(EA), eV:	-9.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-1-benzyl-3-methyl-4-(phenylsulfanylmethyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@]1(CCCC1=O)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations