Geometry & MOs

Info

ID:

311698

PubChem CID:

126596890

Reduced:

SN2H28C40 (1)

Stoich.:

AB2C28D40 (1)

Weight, g/mol:

602.27557

ΔHf, kcal/mol:

176.5

Dipole, Da:

2.98

IP(EA), eV:

 -8.31(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[(6aR,10aS)-7-ethyl-12,12-dimethyl-6a,6b,9,10,10a,11a-hexahydrofluoreno[1,2-b][1]benzothiol-8-yl]-2-carbazol-9-ylcyclohexa-1,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(S4)C=CC(=C5)C6=CCC(C=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N)C

DOS

IR

Vibrations