Geometry & MOs

Info

ID:	213033
PubChem CID:	81062588
Reduced:	ClSN3O3C10H16 (1)
Stoich.:	ABC3D3E10F16 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	6.41
IP(EA), eV:	-9.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(N=C1)N)Cl

DOS

IR

Vibrations