Geometry & MOs

Info

ID:	184801
PubChem CID:	77210091
Reduced:	NO9C28H43 (1)
Stoich.:	AB9C28D43 (1)
Weight, g/mol:	527.236661
ΔH_f, kcal/mol:	-425.77
Dipole, Da:	7.76
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxycarbonyloxybutan-2-yl 2-amino-3-[3,4-bis(butoxycarbonyloxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)OC1=C(C=C(C=C1)C(C(C)C(C)OC(=O)OCC)C(C(=O)O)N)OC(=O)C(C)CCC

DOS

IR

Vibrations