Geometry & MOs

Info

ID:	60543
PubChem CID:	26697164
Reduced:	O2S2N3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	4.02
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations