Geometry & MOs

Info

ID:	46973
PubChem CID:	10528716
Reduced:	N2O5C10H12 (2)
Stoich.:	A2B5C10D12 (2)
Weight, g/mol:	480.178418
ΔH_f, kcal/mol:	-391.6
Dipole, Da:	6.83
IP(EA), eV:	-9.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-hydroxy-3-methoxy-3-oxo-1,1-diphenylpropoxy)ethyl]-2-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=NN=C(N12)[C@@H]([C@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

DOS

IR

Vibrations