Geometry & MOs

Info

ID:

314454

PubChem CID:

126621855

Reduced:

OSN2H32C52 (1)

Stoich.:

ABC2D32E52 (1)

Weight, g/mol:

874.338171

ΔHf, kcal/mol:

204.22

Dipole, Da:

1.4

IP(EA), eV:

 -7.9(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-(3,3-dimethyl-22-phenyl-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-yl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8S7)C9=C2C=C1C(=C9)C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations