Geometry & MOs

Info

ID:	56818
PubChem CID:	22391168
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	457.090784
ΔH_f, kcal/mol:	16.17
Dipole, Da:	2.62
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-6-[(4-methoxy-5-phenylmethoxypyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)C3=NN=C(C=C3)OC

DOS

IR

Vibrations