Geometry & MOs

Info

ID:	207624
PubChem CID:	80428621
Reduced:	OS2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	303.107519
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	6.07
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methyl-2-(methylamino)butanoate

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCCC(C)(C(=O)N)NCC

DOS

IR

Vibrations