Geometry & MOs

Info

ID:	69877
PubChem CID:	47205668
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	2.67
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=C(C=C(C(=C1)C)Cl)OC

DOS

IR

Vibrations