Geometry & MOs

Info

ID:	368578
PubChem CID:	127329540
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-95.58
Dipole, Da:	3.79
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1CN(CCN1CCOC)C(=O)C2CSCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations