Geometry & MOs

Info

ID:

181536

PubChem CID:

76758036

Reduced:

SO4N7C21H21 (1)

Stoich.:

AB4C7D21E21 (1)

Weight, g/mol:

522.179773

ΔHf, kcal/mol:

-34.52

Dipole, Da:

11.21

IP(EA), eV:

 -8.73(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NC3=C(C=NN23)C=C4CC(=O)NC4=O)NCC5=CC=C(C=C5)S(=O)(=O)N

DOS

IR

Vibrations