Geometry & MOs

Info

ID:	207622
PubChem CID:	80428597
Reduced:	O2S2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	317.123169
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	1.67
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SC2CCC(C2)(C(=O)OCC)NC

DOS

IR

Vibrations