Geometry & MOs

Info

ID:

185783

PubChem CID:

77347252

Reduced:

FN2O12C34H37 (1)

Stoich.:

AB2C12D34E37 (1)

Weight, g/mol:

682.253788

ΔHf, kcal/mol:

-457.52

Dipole, Da:

3.4

IP(EA), eV:

 -8.93(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[2-fluoro-3-methoxy-6-(methoxymethoxy)benzoyl]benzoyl]oxy-3-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]azepane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCOC1=C(C=C(C=C1)C(=O)NC2CN(CCCC2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4F)OC)OCOC)C(=O)O)OC

DOS

IR

Vibrations