Geometry & MOs

Info

ID:

179979

PubChem CID:

76561776

Reduced:

ClSO4N5C26H28 (1)

Stoich.:

ABC4D5E26F28 (1)

Weight, g/mol:

551.231474

ΔHf, kcal/mol:

-81.77

Dipole, Da:

4.01

IP(EA), eV:

 -8.92(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopropyl-3-[4-[4-[1-(1,3-dimethylpyrazol-4-yl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations