Geometry & MOs

Info

ID:	184791
PubChem CID:	77207729
Reduced:	NO11C27H41 (1)
Stoich.:	AB11C27D41 (1)
Weight, g/mol:	563.345818
ΔH_f, kcal/mol:	-482.38
Dipole, Da:	4.3
IP(EA), eV:	-9.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(2,2-dimethylbutanoyloxy)phenyl]-5-hexanoyloxy-4-methylhexanoic acid

Drug info:

PubChemData

Smile

CCC(C)COC(=O)OC1=C(C=C(C=C1)C(C(C)C(C)OC(=O)OC)C(C(=O)O)N)OC(=O)OCC(C)CC

DOS

IR

Vibrations