Geometry & MOs

Info

ID:	184764
PubChem CID:	77205163
Reduced:	NO8C22H31 (1)
Stoich.:	AB8C22D31 (1)
Weight, g/mol:	561.330167
ΔH_f, kcal/mol:	-346.85
Dipole, Da:	3.51
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(2-methylpentanoyloxy)phenyl]-5-(cyclohexanecarbonyloxy)-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCCNC(CC1=CC(=C(C=C1)OC(=O)CC)OC(=O)CC)C(=O)OC

DOS

IR

Vibrations