Geometry & MOs

Info

ID:	184746
PubChem CID:	77202774
Reduced:	NO8C30H47 (1)
Stoich.:	AB8C30D47 (1)
Weight, g/mol:	565.288697
ΔH_f, kcal/mol:	-394.52
Dipole, Da:	6.0
IP(EA), eV:	-9.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(butan-2-yloxycarbonyloxy)phenyl]-5-(cyclohexanecarbonyloxy)hexanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1=C(C=C(C=C1)C(C(C)COC(=O)C(C)CCC)C(C(=O)O)N)OC(=O)CCCCC

DOS

IR

Vibrations