Geometry & MOs

Info

ID:

185784

PubChem CID:

77347253

Reduced:

FN2O11C35H39 (1)

Stoich.:

AB2C11D35E39 (1)

Weight, g/mol:

648.23191

ΔHf, kcal/mol:

-437.14

Dipole, Da:

6.5

IP(EA), eV:

 -9.4(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[5-acetyl-2-(methoxymethoxy)benzoyl]benzoyl]oxy-3-[[4-(methoxymethoxy)benzoyl]amino]azepane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCOC)C)C(=O)NC2CN(CCCC2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4F)OC)OCOC)C(=O)O

DOS

IR

Vibrations