Geometry & MOs

Info

ID:	184776
PubChem CID:	77206779
Reduced:	NO10C27H41 (1)
Stoich.:	AB10C27D41 (1)
Weight, g/mol:	549.330167
ΔH_f, kcal/mol:	-452.48
Dipole, Da:	4.93
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[[3,4-bis(3,3-dimethylbutanoyloxy)phenyl]methyl]-4-(2,3-dimethylbutanoyloxy)pentanoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)OCCC(CC1=CC(=C(C=C1)OC(=O)OCC(C)C)OC(=O)OCC(C)C)(C(=O)OC)N

DOS

IR

Vibrations