Geometry & MOs

Info

ID:	150661
PubChem CID:	53790355
Reduced:	FNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	5.43
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-([1,3]dioxolo[4,5-c]pyridin-4-ylmethylsulfanyl)-6-methyl-1H-benzimidazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations