Geometry & MOs

Info

ID:	284492
PubChem CID:	104050756
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	8.17
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-[[3-oxo-3-(propylamino)propyl]amino]-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCN(C1)C2=NC(=CS2)C(C)(C)C(=O)O

DOS

IR

Vibrations