Geometry & MOs

Info

ID:

378133

PubChem CID:

134224207

Reduced:

FNCl2O3H22C26 (1)

Stoich.:

ABC2D3E22F26 (1)

Weight, g/mol:

830.344319

ΔHf, kcal/mol:

-106.27

Dipole, Da:

4.7

IP(EA), eV:

 -8.81(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-[(3,5-diphenylphenyl)methyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-15-thia-11-azapentacyclo[12.10.0.03,12.05,10.016,21]tetracosa-1,3(12),5,7,9,13,16,18,20-nonaene

Drug info:

PubChemData

Smile

CCCCOC(=O)C1CC(=C(C=C1)N2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC=C4Cl)Cl)F

DOS

IR

Vibrations