Geometry & MOs

Info

ID:	149988
PubChem CID:	53789671
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	5.84
IP(EA), eV:	-9.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-2-[(3-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CN)C(=O)OC

DOS

IR

Vibrations