Geometry & MOs

Info

ID:	380916
PubChem CID:	134971515
Reduced:	I2S2H5C9 (1)
Stoich.:	A2B2C5D9 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	106.54
Dipole, Da:	1.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136610
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-methyl-1-(5-methyl-2-phenylmethoxyphenoxy)benzene

Drug info:

PubChemData

Smile

C1=CSC(=C1/C=C\2/C=C[S+]=C2I)I

DOS

IR

Vibrations