Geometry & MOs

Info

ID:

443402

PubChem CID:

135258866

Reduced:

SN2H25C33 (2)

Stoich.:

AB2C25D33 (2)

Weight, g/mol:

1659.411966

ΔHf, kcal/mol:

290.11

Dipole, Da:

1.73

IP(EA), eV:

 -7.88(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-5-[4-[5-[4-[5-(N-[3-[3-(N-[5-[4-[5-[4-[5-(N-phenylanilino)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-yl]phenyl]thiophen-2-yl]phenyl]-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-yl]anilino)phenyl]phenyl]anilino)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-yl]phenyl]furan-2-yl]phenyl]-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(S4)C5=C(C(=C(C(=C5N)N)C6=CC=C(S6)C7=CC=C(C=C7)C(=C(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)N)N)C1=CC=CC=C1

DOS

IR

Vibrations