Geometry & MOs

Info

ID:	178167
PubChem CID:	76289040
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	4.7
IP(EA), eV:	-8.42(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1,1,3-trioxo-N-[5-(5-phenylpyrazolidin-3-yl)pentyl]-2-propan-2-yl-1,2-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCCN(CC2)C(=O)CCCCCN3C(=O)C4C=CC=CC4=NC3=S

DOS

IR

Vibrations