Geometry & MOs

Info

ID:	323378
PubChem CID:	126674644
Reduced:	SN4O4F5C20H23 (1)
Stoich.:	AB4C4D5E20F23 (1)
Weight, g/mol:	440.16714
ΔH_f, kcal/mol:	-333.88
Dipole, Da:	8.26
IP(EA), eV:	-9.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hydroxymethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-(4-pyrimidin-2-yloxycyclohexyl)urea

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)S(F)(F)(F)(F)F)OC3COC3)OC4=NC=CC=N4

DOS

IR

Vibrations