Geometry & MOs

Info

ID:	437819
PubChem CID:	135227105
Reduced:	BrFNOSC10H11 (1)
Stoich.:	ABCDEF10G11 (1)
Weight, g/mol:	485.97328
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	3.03
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(cyclopropylmethylsulfanyl)-2-fluorophenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1CC1CS(=N)(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations