Geometry & MOs

Info

ID:

391238

PubChem CID:

135003798

Reduced:

SCl2N2O6H24C29 (1)

Stoich.:

AB2C2D6E24F29 (1)

Weight, g/mol:

763.178358

ΔHf, kcal/mol:

-128.53

Dipole, Da:

7.92

IP(EA), eV:

 -8.55(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 36-azanonadecacyclo[27.22.1.02,27.03,8.04,51.07,11.09,26.010,15.014,18.016,25.017,22.021,32.023,31.024,28.030,47.033,46.036,45.039,44.048,52]dopentaconta-2,4(51),5,7(11),8,10(15),12,14(18),16,19,21,23,25,27,29,31,34,37,39,41,43,47,49-tricosaene-34,35-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C(=C(N3[C@@H]2C4=CC=CC=C4C=C3)C(=O)OC)C(=O)OC)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations