Geometry & MOs

Info

ID:	447191
PubChem CID:	135281062
Reduced:	F3O3N4H19C20 (1)
Stoich.:	A3B3C4D19E20 (1)
Weight, g/mol:	439.99567
ΔH_f, kcal/mol:	-214.39
Dipole, Da:	5.93
IP(EA), eV:	-9.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-sulfanylethylsulfanyl)-3-[1-[(2S)-3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropylsulfanyl]propane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C(=O)NC2=CC(=C(C=C2)F)C#N)C(=O)C(=O)NC(C)C(C)(F)F

DOS

IR

Vibrations