Geometry & MOs

Info

ID:	167992
PubChem CID:	74910192
Reduced:	SO2N7C20H25 (1)
Stoich.:	AB2C7D20E25 (1)
Weight, g/mol:	472.035198
ΔH_f, kcal/mol:	17.42
Dipole, Da:	2.63
IP(EA), eV:	-8.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-butyl-2-(5-chlorothiophen-2-yl)sulfonylimino-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCSC1=NC2=C(C=NN2CCNC(=O)C3C=CC=NC3=O)C(=N1)N4CCCCC4

DOS

IR

Vibrations