Geometry & MOs

Info

ID:	353714
PubChem CID:	127285291
Reduced:	SN2O3C20H36 (1)
Stoich.:	AB2C3D20E36 (1)
Weight, g/mol:	371.224263
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	2.93
IP(EA), eV:	-8.88(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylpyrrolidin-1-yl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN1CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations