Geometry & MOs

Info

ID:	429309
PubChem CID:	135169278
Reduced:	F2O3N6C26H26 (1)
Stoich.:	A2B3C6D26E26 (1)
Weight, g/mol:	498.00113
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(furan-3-ylmethylamino)quinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=CC=C1)F)F)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations