Geometry & MOs

Info

ID:	227761
PubChem CID:	87562410
Reduced:	O9H18C20 (1)
Stoich.:	A9B18C20 (1)
Weight, g/mol:	451.179044
ΔH_f, kcal/mol:	-320.51
Dipole, Da:	6.95
IP(EA), eV:	-10.24(-0.69)
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-[5-(methylamino)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C(=O)OC(=O)CC(C(=O)OC(=O)[C@@H](C2=CC=CC=C2)O)O)O

DOS

IR

Vibrations