Geometry & MOs

Info

ID:	55930
PubChem CID:	17397502
Reduced:	OSN4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	66.23
Dipole, Da:	5.35
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-ethylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NC(=O)CC3=CN4C=CSC4=N3)N=CC=C2

DOS

IR

Vibrations