Geometry & MOs

Info

ID:	31027
PubChem CID:	854175
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	-158.19
Dipole, Da:	2.3
IP(EA), eV:	-10.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations