Geometry & MOs

Info

ID:	231726
PubChem CID:	87574525
Reduced:	ClON4H15C21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	236.084656
ΔH_f, kcal/mol:	114.59
Dipole, Da:	3.3
IP(EA), eV:	-8.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoro-(4-pentylphenyl)-lambda4-sulfane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC\3=C(C=CN/C3=C(\N)/N=O)N=C2C4=CC=C(C=C4)Cl

DOS

IR

Vibrations