Geometry & MOs

Info

ID:	391413
PubChem CID:	135004852
Reduced:	NO7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	445.171165
ΔH_f, kcal/mol:	-303.92
Dipole, Da:	5.99
IP(EA), eV:	-9.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S)-1-benzyl-4-methyl-3-(4-methylphenyl)sulfanyl-5-oxo-2-phenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=O)N(C(=C1C(=O)OC)C)C2CCCCC2)C(=O)OCC

DOS

IR

Vibrations