Geometry & MOs

Info

ID:	227829
PubChem CID:	87562612
Reduced:	S4C15H34 (1)
Stoich.:	A4B15C34 (1)
Weight, g/mol:	418.076947
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	4.51
IP(EA), eV:	-8.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[5-(3-hydroxypyrrolidin-1-yl)sulfonylpyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCC(S)S.CCCCC(S)S

DOS

IR

Vibrations