Geometry & MOs

Info

ID:	227561
PubChem CID:	87561993
Reduced:	OSN5C24H33 (1)
Stoich.:	ABC5D24E33 (1)
Weight, g/mol:	471.211156
ΔH_f, kcal/mol:	14.06
Dipole, Da:	3.66
IP(EA), eV:	-8.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCN(CC2)C3=CC=C(C=C3)N(C(=O)N)S)CCC4=CC=CC=C4

DOS

IR

Vibrations