Geometry & MOs

Info

ID:	224305
PubChem CID:	85341227
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	290.083279
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	3.17
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclohexylsulfinyl-4-methylpent-4-enedithioate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCOC(=O)C=[N+]=[N-])C)C)C

DOS

IR

Vibrations