Geometry & MOs

Info

ID:	406967
PubChem CID:	135079025
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	374.07428
ΔH_f, kcal/mol:	-100.19
Dipole, Da:	5.77
IP(EA), eV:	-9.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-iodobut-3-enyl)cyclohexa-2,5-dien-1-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCC/C=N/S(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations