Geometry & MOs

Info

ID:

321945

PubChem CID:

126667438

Reduced:

SF2O2N8C25H26 (1)

Stoich.:

AB2C2D8E25F26 (1)

Weight, g/mol:

486.176185

ΔHf, kcal/mol:

-23.44

Dipole, Da:

1.61

IP(EA), eV:

 -8.4(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(difluoromethoxy)-6-[3-(dimethylamino)azetidin-1-yl]-3-N-[4-(1-methylthieno[3,2-c]pyrazol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=CC(=N3)C4=NN(C5=C4SC=C5)C)OC(F)F

DOS

IR

Vibrations