Geometry & MOs

Info

ID:

162875

PubChem CID:

57578221

Reduced:

SN3O3H39C51 (1)

Stoich.:

AB3C3D39E51 (1)

Weight, g/mol:

2004.570606

ΔHf, kcal/mol:

94.6

Dipole, Da:

2.87

IP(EA), eV:

 -7.95(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,24-didecyl-8,19-bis[(3,4,5-tridodecoxyphenyl)methyl]-8,19-diazanonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1(29),2,4,6(30),10,12,14,16,21,23,25,27-dodecaene-7,9,18,20-tetrone

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)/C=C\6/C(=NN(C6=O)C7=CC=CC=C7)C(=O)O)C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C

DOS

IR

Vibrations