Geometry & MOs

Info

ID:	179978
PubChem CID:	76561627
Reduced:	SO5N6C26H28 (1)
Stoich.:	AB5C6D26E28 (1)
Weight, g/mol:	541.155053
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	3.77
IP(EA), eV:	-9.16(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-[4-(3-methylmorpholin-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4CC4)C5=CN=C(N=C5)NC(=O)OC6=CC=CC=C6

DOS

IR

Vibrations