Geometry & MOs

Info

ID:	274442
PubChem CID:	103809403
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	4.28
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,3-benzothiazol-6-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations