Geometry & MOs

Info

ID:	440769
PubChem CID:	135231361
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	4.66
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-ylamino)phenyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1C2=CN=C(N=C2C(=O)N1)N3CCOCC3

DOS

IR

Vibrations