Geometry & MOs

Info

ID:	371775
PubChem CID:	131271610
Reduced:	SN3O3C9H9 (1)
Stoich.:	AB3C3D9E9 (1)
Weight, g/mol:	239.036462
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	3.05
IP(EA), eV:	-10.2(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC2=C(N=NS2)C(=O)O

DOS

IR

Vibrations