Geometry & MOs

Info

ID:	347676
PubChem CID:	127272542
Reduced:	SN2O3C18H32 (1)
Stoich.:	AB2C3D18E32 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-166.38
Dipole, Da:	4.42
IP(EA), eV:	-9.27(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CC3(CC2CC(C3)(C)C)C

DOS

IR

Vibrations