Geometry & MOs

Info

ID:

181537

PubChem CID:

76758364

Reduced:

SO4N8C24H26 (1)

Stoich.:

AB4C8D24E26 (1)

Weight, g/mol:

467.137573

ΔHf, kcal/mol:

-27.0

Dipole, Da:

6.24

IP(EA), eV:

 -8.61(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[7-(cyclopropylamino)-3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NC3=C(C=NN23)C=C4C(=O)NC(=O)N4)C5=CC=C(S5)C(=O)N6CCN(CC6)CCO

DOS

IR

Vibrations