Geometry & MOs

Info

ID:	375682
PubChem CID:	134220772
Reduced:	BrClNSO4H11C15 (1)
Stoich.:	ABCDE4F11G15 (1)
Weight, g/mol:	273.230394
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	2.38
IP(EA), eV:	-9.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylbutan-2-yloxy)ethylamino]ethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)S/C=C\C(=O)CO

DOS

IR

Vibrations