Geometry & MOs

Info

ID:	317661
PubChem CID:	126644885
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	0.35
Dipole, Da:	6.27
IP(EA), eV:	-9.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)OCC2=CC(=CC=C2)C#N)N

DOS

IR

Vibrations