Geometry & MOs

Info

ID:	312652
PubChem CID:	126607180
Reduced:	FSN2O4C7H17 (1)
Stoich.:	ABC2D4E7F17 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-211.48
Dipole, Da:	1.61
IP(EA), eV:	-8.81(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CNS([C@@H]1CC([C@@H](C(O1)CO)O)O)(N)F

DOS

IR

Vibrations