Geometry & MOs

Info

ID:

186805

PubChem CID:

77487791

Reduced:

SO5N6C34H40 (1)

Stoich.:

AB5C6D34E40 (1)

Weight, g/mol:

442.13203

ΔHf, kcal/mol:

-118.96

Dipole, Da:

3.6

IP(EA), eV:

 -8.37(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-(2-chloro-4-fluoro-5-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-hydroxypyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=C(C(=C(N4)CN(C)C(=O)C=C)C(=O)N5CCN(CC5)C)C

DOS

IR

Vibrations