Geometry & MOs

Info

ID:	223577
PubChem CID:	85335263
Reduced:	ClSN3O4C20H26 (1)
Stoich.:	ABC3D4E20F26 (1)
Weight, g/mol:	439.123359
ΔH_f, kcal/mol:	-153.74
Dipole, Da:	2.39
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-5-(piperidin-4-ylmethylamino)-8H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)NCCC3=CC=CN3

DOS

IR

Vibrations