Geometry & MOs

Info

ID:

321946

PubChem CID:

126667439

Reduced:

OSF2N8C22H24 (1)

Stoich.:

ABC2D8E22F24 (1)

Weight, g/mol:

512.191835

ΔHf, kcal/mol:

12.1

Dipole, Da:

8.77

IP(EA), eV:

 -8.02(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(difluoromethoxy)-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)-3-N-[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)N)N5CC(C5)N(C)C)OC(F)F)SC=C2

DOS

IR

Vibrations