Geometry & MOs

Info

ID:	207620
PubChem CID:	80428541
Reduced:	S2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	261.060569
ΔH_f, kcal/mol:	64.34
Dipole, Da:	3.86
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)SC2=NC=NS2)C#N

DOS

IR

Vibrations