Geometry & MOs

Info

ID:	184749
PubChem CID:	77203459
Reduced:	NO10C31H47 (1)
Stoich.:	AB10C31D47 (1)
Weight, g/mol:	565.288697
ΔH_f, kcal/mol:	-471.54
Dipole, Da:	5.63
IP(EA), eV:	-9.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(butan-2-yloxycarbonyloxy)phenyl]-2-[2-(cyclohexanecarbonyloxy)propylamino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)COC(=O)OC1=C(C=C(C=C1)CC(CC(C)OC(=O)C2CCCCC2)(C(=O)O)N)OC(=O)OCC(C)CC

DOS

IR

Vibrations