Geometry & MOs

Info

ID:	226050
PubChem CID:	87271526
Reduced:	N2F6O6C15H16 (1)
Stoich.:	A2B6C6D15E16 (1)
Weight, g/mol:	479.097349
ΔH_f, kcal/mol:	-558.2
Dipole, Da:	9.47
IP(EA), eV:	-8.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylsulfonyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=CC=NC=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations