Geometry & MOs

Info

ID:	181453
PubChem CID:	76747726
Reduced:	ClF3N3O3H17C19 (1)
Stoich.:	AB3C3D3E17F19 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	-223.46
Dipole, Da:	1.97
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(6-chloropyridin-3-yl)urea

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CC(C(F)(F)F)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations