Geometry & MOs

Info

ID:	184792
PubChem CID:	77207834
Reduced:	NO8C31H49 (1)
Stoich.:	AB8C31D49 (1)
Weight, g/mol:	563.345818
ΔH_f, kcal/mol:	-402.12
Dipole, Da:	9.17
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(2,2-dimethylbutanoyloxy)phenyl]-2-(butan-2-ylamino)-2-hexanoyloxypropanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C)C(C)C(C1=CC(=C(C=C1)OC(=O)C(C)(C)CC)OC(=O)C(C)(C)CC)C(C(=O)O)N

DOS

IR

Vibrations