Geometry & MOs

Info

ID:

163635

PubChem CID:

58106478

Reduced:

SH10C19 (2)

Stoich.:

AB10C19 (2)

Weight, g/mol:

628.113099

ΔHf, kcal/mol:

254.73

Dipole, Da:

0.09

IP(EA), eV:

 -7.7(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-bis(4-fluorophenyl)-12,14-diphenyl-4,13-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1(19),2,5,7,9,11,14,16(20),17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C5C=CC6=C7C(=C8C6=C5C(=C4S3)C=C8)C=C(S7)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations