Geometry & MOs

Info

ID:	317669
PubChem CID:	126644894
Reduced:	BrNOF3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	345.094726
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	4.91
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=C(C=C2)C(F)(F)F)C3=CC(=CC(=C3)Br)OC

DOS

IR

Vibrations