Geometry & MOs

Info

ID:

321942

PubChem CID:

126667432

Reduced:

SF2O3N8C22H24 (1)

Stoich.:

AB2C3D8E22F24 (1)

Weight, g/mol:

473.180936

ΔHf, kcal/mol:

-7.08

Dipole, Da:

4.25

IP(EA), eV:

 -8.52(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC(F)F)N(C)CCN(C)C)[N+](=O)[O-])SC=C2

DOS

IR

Vibrations