Geometry & MOs

Info

ID:	68922
PubChem CID:	46512077
Reduced:	SCl2N3O5H19C21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	455.060963
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	1.25
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations