Geometry & MOs

Info

ID:

314452

PubChem CID:

126621849

Reduced:

OSN2H28C46 (1)

Stoich.:

ABC2D28E46 (1)

Weight, g/mol:

834.306871

ΔHf, kcal/mol:

182.54

Dipole, Da:

1.94

IP(EA), eV:

 -7.77(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(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)phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7S6)C8=C2C=C9C(=C8)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations