Geometry & MOs

Info

ID:	368383
PubChem CID:	127328274
Reduced:	NS2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	10.97
IP(EA), eV:	-8.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-benzoyl-2-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)CC2=CC(=CC=C2)NC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations