Geometry & MOs

Info

ID:	142905
PubChem CID:	53112776
Reduced:	N3S3O4C19H21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	426.103162
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	5.57
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(C=CS4)C)SC1=O

DOS

IR

Vibrations