Geometry & MOs

Info

ID:	437794
PubChem CID:	135227079
Reduced:	BrFNSO3C10H11 (1)
Stoich.:	ABCDE3F10G11 (1)
Weight, g/mol:	470.111185
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	3.49
IP(EA), eV:	-9.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-(1,3-dioxolan-2-ylmethylsulfanyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1COC(O1)CS(=N)(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations