Geometry & MOs

Info

ID:

314337

PubChem CID:

126621565

Reduced:

ClSN2H17C28 (1)

Stoich.:

ABC2D17E28 (1)

Weight, g/mol:

672.169391

ΔHf, kcal/mol:

135.9

Dipole, Da:

1.17

IP(EA), eV:

 -8.99(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=C4C5=CC=CC=C5SC4=N3)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations