Geometry & MOs

Info

ID:	323377
PubChem CID:	126674642
Reduced:	F3N4O4C19H21 (1)
Stoich.:	A3B4C4D19E21 (1)
Weight, g/mol:	510.136017
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	9.08
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxetan-3-yloxy)-5-(pentafluoro-lambda6-sulfanyl)phenyl]-3-(4-pyrimidin-2-yloxycyclohexyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NC2CCC(CC2)OC3=NC=CC=N3

DOS

IR

Vibrations