Geometry & MOs

Info

ID:	251299
PubChem CID:	103102886
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-148.38
Dipole, Da:	6.18
IP(EA), eV:	-9.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-amino-2-oxoethyl)-ethylamino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC)CC(=O)N

DOS

IR

Vibrations