Geometry & MOs

Info

ID:

298878

PubChem CID:

117662371

Reduced:

SN4O10C48H62 (1)

Stoich.:

AB4C10D48E62 (1)

Weight, g/mol:

742.309647

ΔHf, kcal/mol:

-385.2

Dipole, Da:

8.73

IP(EA), eV:

 -8.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-anthracen-9-yl-5-[4-[4-(2,6-dimethylpyridin-4-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)C#CC3=CC(=CN=C3)C(CC(=O)OC(C)(C)C)NC(=O)[C@@H]4CCCN(C4)C(=O)CCC5CCN(CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations