Geometry & MOs

Info

ID:	158879
PubChem CID:	57244130
Reduced:	BrNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-56.01
Dipole, Da:	4.67
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2=CCON2)S(=O)(=O)C)Br

DOS

IR

Vibrations