Geometry & MOs

Info

ID:	340326
PubChem CID:	127262337
Reduced:	ClNOC12H22 (1)
Stoich.:	ABCD12E22 (1)
Weight, g/mol:	376.243602
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	3.02
IP(EA), eV:	-9.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[2-methyl-3-(4-methylphenyl)sulfonylpropyl]cyclododecene

Drug info:

PubChemData

Smile

C1CCCCCC(=NOCl)CCCCC1

DOS

IR

Vibrations