Geometry & MOs

Info

ID:	432889
PubChem CID:	135173026
Reduced:	FN9C28H34 (1)
Stoich.:	AB9C28D34 (1)
Weight, g/mol:	598.178893
ΔH_f, kcal/mol:	122.89
Dipole, Da:	3.62
IP(EA), eV:	-8.56(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3,4,5-tetraphenyl-6-(4-sulfanylphenyl)phenyl]benzenethiol

Drug info:

PubChemData

Smile

CN/C(=C\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CC(=CC(=C4)F)NCCN(C)C)/C5CCNCC5

DOS

IR

Vibrations