Geometry & MOs

Info

ID:	225304
PubChem CID:	85756455
Reduced:	SBr2O3H10C16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	381.049189
ΔH_f, kcal/mol:	-24.9
Dipole, Da:	7.35
IP(EA), eV:	-8.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=S)O2)OC3=C(C=CC=C3Br)Br

DOS

IR

Vibrations