Geometry & MOs

Info

ID:	410455
PubChem CID:	135083252
Reduced:	IOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	249.93512
ΔH_f, kcal/mol:	8.65
Dipole, Da:	5.4
IP(EA), eV:	-8.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=C(C(C=CC=C1)I)SC

DOS

IR

Vibrations