Geometry & MOs

Info

ID:

190498

PubChem CID:

78012070

Reduced:

O2F4N5H19C20 (1)

Stoich.:

A2B4C5D19E20 (1)

Weight, g/mol:

562.185921

ΔHf, kcal/mol:

-178.89

Dipole, Da:

5.14

IP(EA), eV:

 -9.06(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-cyano-N-[4-[[4-(cyclopropylamino)-8-[(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1COC(CN1)C2C=CC(=CC2F)NC(=O)C3=CN(N=C3)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations