Geometry & MOs

Info

ID:	328560
PubChem CID:	126724681
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	556.271942
ΔH_f, kcal/mol:	8.74
Dipole, Da:	3.75
IP(EA), eV:	-9.09(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-ethyl-5-hydroxy-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

C/C=C(\C1=C(C=NC=C1)ON)/C(C)(C)C

DOS

IR

Vibrations