Geometry & MOs

Info

ID:

443403

PubChem CID:

135258872

Reduced:

OS5N12H66C104 (1)

Stoich.:

AB5C12D66E104 (1)

Weight, g/mol:

1320.494689

ΔHf, kcal/mol:

673.15

Dipole, Da:

3.68

IP(EA), eV:

 -8.08(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[5-[4-[3-amino-2-thionitroso-4-(N-[4-(1,2,2-triphenylethenyl)phenyl]anilino)phenyl]phenyl]thiophen-2-yl]phenyl]-1-N-phenyl-1-N-[4-(1,2,2-triphenylethenyl)phenyl]benzene-1,2,3-triamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C(=C(C=C3)C5=CC=C(C=C5)C6=CC=C(O6)C7=CC=C(C=C7)C8=C9C(=C(C=C8)N(C1=CC=CC=C1)C1=CC=CC(=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=C2C(=C(C=C1)C1=CC=C(C=C1)C1=CC=C(S1)C1=CC=C(C=C1)C1=C3C(=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)N=S=N3)N=S=N2)N=S=N9)N=S=N4

DOS

IR

Vibrations