Geometry & MOs

Info

ID:	297374
PubChem CID:	117616405
Reduced:	OCl4N5H6F9C16 (1)
Stoich.:	AB4C5D6E9F16 (1)
Weight, g/mol:	567.027519
ΔH_f, kcal/mol:	-409.83
Dipole, Da:	6.43
IP(EA), eV:	-9.76(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N2C(=C3C(N2)N=C(N=C3C(F)(F)F)C(F)(F)F)NC(=O)C(Cl)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations