Geometry & MOs

Info

ID:	358647
PubChem CID:	127296426
Reduced:	N2S2O4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	388.14905
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	5.38
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations