Geometry & MOs

Info

ID:	317606
PubChem CID:	126644318
Reduced:	FSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	405.01466
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	5.36
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations