Geometry & MOs

Info

ID:	398933
PubChem CID:	135036417
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	445.12269
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	7.76
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-chlorophenyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-prop-2-enylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations