Geometry & MOs

Info

ID:	27202
PubChem CID:	819484
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	245.993985
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	2.81
IP(EA), eV:	-9.6(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-chloro-2-methylsulfinylethenyl]-4-methylsulfanylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=C(N1)C=O)C#N

DOS

IR

Vibrations