Geometry & MOs

Info

ID:	277777
PubChem CID:	103830928
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	3.13
IP(EA), eV:	-9.2(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CC)CCCC)N

DOS

IR

Vibrations