Geometry & MOs

Info

ID:	44615
PubChem CID:	10504415
Reduced:	ClSO3C27H27 (1)
Stoich.:	ABC3D27E27 (1)
Weight, g/mol:	353.183838
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	3.89
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-aminoethoxy)ethoxycarbonyloxy]-4,6-dimethylphenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34

DOS

IR

Vibrations