Geometry & MOs

Info

ID:

319692

PubChem CID:

126657027

Reduced:

SN3O7C42H47 (1)

Stoich.:

AB3C7D42E47 (1)

Weight, g/mol:

646.334799

ΔHf, kcal/mol:

-168.51

Dipole, Da:

1.5

IP(EA), eV:

 -8.67(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16Z,18E)-15-methylidene-3-N,3-N,19-N,19-N-tetrakis(4-methylphenyl)tetracyclo[6.6.5.02,7.09,14]nonadeca-2(7),3,5,9,11,13,16,18-octaene-3,19-diamine

Drug info:

PubChemData

Smile

CC1(CC=C(C=C1)NC(=O)CCCCCCC(=O)NO)[C@H]2O[C@H](C[C@H](O2)C3=CC=C(C=C3)CO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations