Geometry & MOs

Info

ID:	144014
PubChem CID:	53300458
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	341.108565
ΔH_f, kcal/mol:	-118.96
Dipole, Da:	2.77
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S[C@]2(CC(=O)N[C@@H]2C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations