Geometry & MOs

Info

ID:	356600
PubChem CID:	127291826
Reduced:	SN3O5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-234.74
Dipole, Da:	9.18
IP(EA), eV:	-9.34(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(2-hydroxybutyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3CCS(=O)(=O)C3)O

DOS

IR

Vibrations