Geometry & MOs

Info

ID:	139787
PubChem CID:	52595646
Reduced:	ClN2O5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	358.094055
ΔH_f, kcal/mol:	-136.64
Dipole, Da:	4.28
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@H](CNC(=O)NC2=CC=CC=C2OC3=CC=CC=C3Cl)O

DOS

IR

Vibrations