Geometry & MOs

Info

ID:

181531

PubChem CID:

76756711

Reduced:

ClFN3O5C31H39 (1)

Stoich.:

ABC3D5E31F39 (1)

Weight, g/mol:

978.447382

ΔHf, kcal/mol:

-266.84

Dipole, Da:

6.17

IP(EA), eV:

 -9.38(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-[4-[2-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-7,9-dimethyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carbonyl]oxyacetyl]phenyl]phenyl]-2-oxoethyl] 2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-7,9-dimethyl-6,10-dioxa-2-azaspiro[4.5]decane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C1CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OC4=CC=C(C=C4)F

DOS

IR

Vibrations