Geometry & MOs

Info

ID:	388141
PubChem CID:	134988307
Reduced:	SO3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	412.82321
ΔH_f, kcal/mol:	-128.19
Dipole, Da:	5.04
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-diiodo-1-phenylethenyl) thiocyanate

Drug info:

PubChemData

Smile

CC(=O)OCCC(CO)SCC1=CC=CC=C1

DOS

IR

Vibrations