Geometry & MOs

Info

ID:

185782

PubChem CID:

77347251

Reduced:

N2O10C35H40 (1)

Stoich.:

A2B10C35D40 (1)

Weight, g/mol:

684.233053

ΔHf, kcal/mol:

-361.34

Dipole, Da:

8.27

IP(EA), eV:

 -9.36(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCOC)C(=O)C2=CC=C(C=C2)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)OCOC)C(=O)O

DOS

IR

Vibrations