Geometry & MOs

Info

ID:

166653

PubChem CID:

74722460

Reduced:

SN5O5H20C24 (1)

Stoich.:

AB5C5D20E24 (1)

Weight, g/mol:

488.280084

ΔHf, kcal/mol:

-12.66

Dipole, Da:

16.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.191194

Charge, e:

 -1

Chem-info

IUPAC name:

5,9-dimethyl-15-(4-methylphenyl)-14,16-dioxo-19-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)[O-])C(=O)N=C3S2

DOS

IR

Vibrations