Geometry & MOs

Info

ID:	228351
PubChem CID:	87564052
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	19.61
Dipole, Da:	3.65
IP(EA), eV:	-8.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CC1CNC2=CC=C(C=C2)OC3=NC4=C(C=C3)C=C(C=C4)CC=O

DOS

IR

Vibrations