Geometry & MOs

Info

ID:	207625
PubChem CID:	80428680
Reduced:	O2S2N3C12H21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	317.123169
ΔH_f, kcal/mol:	-63.13
Dipole, Da:	3.34
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCCC(C)(C(=O)OCC)NC

DOS

IR

Vibrations