Geometry & MOs

Info

ID:	50522
PubChem CID:	12013066
Reduced:	NCl2O4S5C22H37 (1)
Stoich.:	AB2C4D5E22F37 (1)
Weight, g/mol:	830.137515
ΔH_f, kcal/mol:	-115.84
Dipole, Da:	5.35
IP(EA), eV:	-9.2(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[(1E)-3,4,4-trichloro-1-decylsulfanyl-2-nitrobuta-1,3-dienyl]piperazine

Drug info:

PubChemData

Smile

CCCCCCCCCCS/C/1=C(/C(=C(\SCCOCCSSCCOCCS1)/Cl)/Cl)\[N+](=O)[O-]

DOS

IR

Vibrations