Geometry & MOs

Info

ID:

314448

PubChem CID:

126621837

Reduced:

OSN2H56C77 (1)

Stoich.:

ABC2D56E77 (1)

Weight, g/mol:

949.312684

ΔHf, kcal/mol:

239.37

Dipole, Da:

1.34

IP(EA), eV:

 -7.84(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(22-phenyl-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C=CC2=C(C1=C9)OC1=CC=CC=C21)C1=CC2=C(C=C1)SC1=CC=CC=C12)C1=CC=C(C=C1)C(C)(C)C)C

DOS

IR

Vibrations