Geometry & MOs

Info

ID:	441055
PubChem CID:	135232889
Reduced:	ICl2F3O3N5H21C29 (1)
Stoich.:	AB2C3D3E5F21G29 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	-142.68
Dipole, Da:	4.2
IP(EA), eV:	-9.63(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylsulfanyl-3H-pyrrol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CC(=C2)F)F)[C@@H](C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4CC(C4)(F)I)C5=NC=CC(=C5)C#N

DOS

IR

Vibrations