Geometry & MOs

Info

ID:	60663
PubChem CID:	26697364
Reduced:	NOSC20H23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	2.66
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations