Geometry & MOs

Info

ID:

226610

PubChem CID:

87544399

Reduced:

ClSN4O6C24H29 (1)

Stoich.:

ABC4D6E24F29 (1)

Weight, g/mol:

589.19706

ΔHf, kcal/mol:

-124.97

Dipole, Da:

3.69

IP(EA), eV:

 -9.38(-2.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-[1-sulfonyl-2-[2-(trifluoromethyl)phenyl]propan-2-yl]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=C3C(=NC(=N2)S(=O)(=O)N(C3=O)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations