Geometry & MOs

Info

ID:	55441
PubChem CID:	17395401
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-56.64
Dipole, Da:	5.93
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations