Geometry & MOs

Info

ID:	137282
PubChem CID:	52183485
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-167.41
Dipole, Da:	8.95
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(2-ethylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCC4(CC3)OCCO4

DOS

IR

Vibrations