Geometry & MOs

Info

ID:	189352
PubChem CID:	77844288
Reduced:	ClSN7H20C27 (1)
Stoich.:	ABC7D20E27 (1)
Weight, g/mol:	489.124807
ΔH_f, kcal/mol:	199.29
Dipole, Da:	3.34
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,6-dichloro-3-fluorophenyl)-2,2-difluoroethoxy]-5-[1-(2,2,6,6-tetradeuteriopiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CN(N=N3)CC4=CC=CC=C4Cl)NC5=CC=CC=C5)C#N

DOS

IR

Vibrations