Geometry & MOs

Info

ID:	317609
PubChem CID:	126644324
Reduced:	ON2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	3.6
IP(EA), eV:	-9.22(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCNCCC(=C)C(=O)N

DOS

IR

Vibrations