Geometry & MOs

Info

ID:

185785

PubChem CID:

77347254

Reduced:

N2O11C34H36 (1)

Stoich.:

A2B11C34D36 (1)

Weight, g/mol:

677.294845

ΔHf, kcal/mol:

-386.76

Dipole, Da:

10.13

IP(EA), eV:

 -9.25(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)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