Geometry & MOs

Info

ID:	429317
PubChem CID:	135169286
Reduced:	N2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	631.03391
ΔH_f, kcal/mol:	42.27
Dipole, Da:	1.14
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(benzylcarbamoyl)-3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC=CN2C1=NC=C2

DOS

IR

Vibrations