Geometry & MOs

Info

ID:

179980

PubChem CID:

76561922

Reduced:

SO4N7C27H33 (1)

Stoich.:

AB4C7D27E33 (1)

Weight, g/mol:

578.212296

ΔHf, kcal/mol:

-43.62

Dipole, Da:

6.35

IP(EA), eV:

 -8.81(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,2-difluoroethyl)-3-[4-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)-dihydroxy-lambda4-sulfanyl]cyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4=CN(N=C4C)C)C5=CC=C(C=C5)NC(=O)NC6CC6

DOS

IR

Vibrations