Geometry & MOs

Info

ID:

230257

PubChem CID:

87570533

Reduced:

NS2Cl3F3O10C31H35 (1)

Stoich.:

AB2C3D3E10F31G35 (1)

Weight, g/mol:

451.198632

ΔHf, kcal/mol:

-548.68

Dipole, Da:

5.77

IP(EA), eV:

 -9.23(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-tert-butyl-4-[6-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]oxycyclohexyl] carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)Cl)CS(=O)(=O)C2CC(ON2)(C)C)Cl.CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F

DOS

IR

Vibrations