Geometry & MOs

Info

ID:	161765
PubChem CID:	57392579
Reduced:	BrSN4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	24.37
Dipole, Da:	5.98
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)hexanediamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=NCC2=CC=CC=C2)SCCCC3=CN=CN3.Br

DOS

IR

Vibrations