Geometry & MOs

Info

ID:

395090

PubChem CID:

135024628

Reduced:

NSSi2O8C46H71 (1)

Stoich.:

ABC2D8E46F71 (1)

Weight, g/mol:

1119.444015

ΔHf, kcal/mol:

-404.01

Dipole, Da:

6.64

IP(EA), eV:

 -8.82(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

37-methyl-3,7,11,12,13,14,18,22-octakis-phenyl-37-azadecacyclo[22.10.2.27,18.02,23.04,21.06,19.08,17.010,15.028,36.031,35]octatriaconta-1(34),2,4,8(17),9,11,13,15,20,22,24,26,28(36),29,31(35),32-hexadecaen-38-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CC(=C)[C@H](CC[C@H](C[C@@H](C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations