Geometry & MOs

Info

ID:	227412
PubChem CID:	87561712
Reduced:	SO2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	452.16306
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	3.74
IP(EA), eV:	-9.02(0.11)
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-(hydroxymethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1C(CSCC1C=O)C=O

DOS

IR

Vibrations