Geometry & MOs

Info

ID:	401433
PubChem CID:	135051253
Reduced:	S3O4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	466.06411
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	4.7
IP(EA), eV:	-8.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodo-4,5-dimethoxyphenyl)hex-5-enyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=S(S2)OS(=O)(=O)O

DOS

IR

Vibrations