Geometry & MOs

Info

ID:

185780

PubChem CID:

77346954

Reduced:

SO5N6C28H36 (1)

Stoich.:

AB5C6D28E36 (1)

Weight, g/mol:

664.26321

ΔHf, kcal/mol:

-165.1

Dipole, Da:

4.99

IP(EA), eV:

 -9.03(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]-4-[4-[5-methoxy-2-(methoxymethoxy)benzoyl]benzoyl]oxyazepane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(=O)N(C(C2=O)CC(=O)NCC3CCCN(C3)C(=N)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations