Geometry & MOs

Info

ID:	429915
PubChem CID:	135169970
Reduced:	F3O3N6H21C23 (1)
Stoich.:	A3B3C6D21E23 (1)
Weight, g/mol:	515.06406
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	6.23
IP(EA), eV:	-8.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(4-aminocyclohexyl)amino]quinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=CC(=C2)NC(=O)/C(=C/N)/C(=NC3=CC=CC4=C3C=CNC4=O)C(F)(F)F

DOS

IR

Vibrations