Geometry & MOs

Info

ID:	429287
PubChem CID:	135169202
Reduced:	ClO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	574.06479
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	6.52
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-nitroquinolin-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)NC)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations