Geometry & MOs

Info

ID:	59768
PubChem CID:	24896450
Reduced:	N2O5F9H23C25 (1)
Stoich.:	A2B5C9D23E25 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-666.45
Dipole, Da:	5.18
IP(EA), eV:	-9.64(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hexoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)OC(F)(F)F)N(C)C(=O)OC(C)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations