Geometry & MOs

Info

ID:	127223
PubChem CID:	50995092
Reduced:	OF2N7H23C25 (1)
Stoich.:	AB2C7D23E25 (1)
Weight, g/mol:	521.068936
ΔH_f, kcal/mol:	8.44
Dipole, Da:	4.48
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[6-(methylamino)pyrimidin-4-yl]oxy-5-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CC(CC#N)N2C=CC(=C2)C3=C4C=CNC4=NC=N3)C(=O)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations