Geometry & MOs

Info

ID:	433984
PubChem CID:	135174134
Reduced:	ClON3F6H18C20 (1)
Stoich.:	ABC3D6E18F20 (1)
Weight, g/mol:	218.043522
ΔH_f, kcal/mol:	-303.68
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,5E)-1-(disulfanyl)-1-hydroxy-4-methylocta-1,5-dien-3-one

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)Cl

DOS

IR

Vibrations