Geometry & MOs

Info

ID:

311714

PubChem CID:

126597004

Reduced:

SN4H26C44 (1)

Stoich.:

AB4C26D44 (1)

Weight, g/mol:

621.223869

ΔHf, kcal/mol:

252.78

Dipole, Da:

3.58

IP(EA), eV:

 -7.95(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3,4-dihydrocarbazol-9-yl)-3-(5-phenyl-6,7-dihydro-[1]benzothiolo[2,3-g]carbazol-3-yl)cyclohexa-1,3-diene-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(N2C4=CC=CC=C4)C5=C(C=C3)C6=C(S5)C(=CC=C6)C7=C(C=CC=C7N8C9=C(C=C(C=C9)C#N)C1=CC=CC=C18)C#N

DOS

IR

Vibrations