Geometry & MOs

Info

ID:	68826
PubChem CID:	46509166
Reduced:	SN4O6C20H20 (1)
Stoich.:	AB4C6D20E20 (1)
Weight, g/mol:	490.200491
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	6.93
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations