Geometry & MOs

Info

ID:	313456
PubChem CID:	126614828
Reduced:	ClSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	265.92623
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	9.39
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-sulfanylcyclohexa-1,5-diene-1-carbonyl iodide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CS(=O)CC(NCC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations