Geometry & MOs

Info

ID:	429295
PubChem CID:	135169264
Reduced:	Cl2O3N5C27H27 (1)
Stoich.:	A2B3C5D27E27 (1)
Weight, g/mol:	463.96041
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	5.08
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-carbamoyl-3-(8-fluoroquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations