Geometry & MOs

Info

ID:	284493
PubChem CID:	104050971
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	306.070799
ΔH_f, kcal/mol:	-127.59
Dipole, Da:	5.78
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-(1-methylsulfonylpropan-2-ylamino)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CCNC1=NC(=CS1)C(C)(C)C(=O)O

DOS

IR

Vibrations