Geometry & MOs

Info

ID:	362151
PubChem CID:	127305837
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-187.26
Dipole, Da:	12.66
IP(EA), eV:	-9.32(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations