Geometry & MOs

Info

ID:	179981
PubChem CID:	76561923
Reduced:	SF2O5N6C26H32 (1)
Stoich.:	AB2C5D6E26F32 (1)
Weight, g/mol:	541.155053
ΔH_f, kcal/mol:	-195.74
Dipole, Da:	3.81
IP(EA), eV:	-8.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopropyl]-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]-3-methylurea

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(C4=C(ON=C4C)C)(O)O)C5=CC=C(C=C5)NC(=O)NCC(F)F

DOS

IR

Vibrations