Geometry & MOs

Info

ID:	361499
PubChem CID:	127303689
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	0.92
IP(EA), eV:	-8.8(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations