Geometry & MOs

Info

ID:	184806
PubChem CID:	77210309
Reduced:	NO8C24H35 (1)
Stoich.:	AB8C24D35 (1)
Weight, g/mol:	597.314911
ΔH_f, kcal/mol:	-368.77
Dipole, Da:	7.63
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations