Geometry & MOs

Info

ID:	237422
PubChem CID:	92719139
Reduced:	SO3N4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	7.9
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(3S)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N[C@@H](C)C4=CC=C(C=C4)CC(C)C)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations