Geometry & MOs

Info

ID:	184773
PubChem CID:	77206305
Reduced:	NO8C30H47 (1)
Stoich.:	AB8C30D47 (1)
Weight, g/mol:	495.246832
ΔH_f, kcal/mol:	-397.91
Dipole, Da:	5.76
IP(EA), eV:	-9.04(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3,4-bis(3-methylbutanoyloxy)phenyl]-5-methoxycarbonyloxy-4-methylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NCCOC(=O)CC(C)(C)C)OC(=O)CCC(C)C

DOS

IR

Vibrations