Geometry & MOs

Info

ID:	429445
PubChem CID:	135169494
Reduced:	FSO2N4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	373.01097
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	0.74
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-5-[[methyl(prop-2-enyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=C(C(=NC=C3)N)F)SC(=N2)N

DOS

IR

Vibrations