Geometry & MOs

Info

ID:	297371
PubChem CID:	117616345
Reduced:	S2O10C17H32 (1)
Stoich.:	A2B10C17D32 (1)
Weight, g/mol:	564.027853
ΔH_f, kcal/mol:	-467.42
Dipole, Da:	5.04
IP(EA), eV:	-9.02(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pentanenitrile

Drug info:

PubChemData

Smile

C(CCO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2[C@H](C([C@H](C(O2)CS)O)O)O)O)O)CCS

DOS

IR

Vibrations