Geometry & MOs

Info

ID:	288035
PubChem CID:	104309203
Reduced:	ClSN3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	227.017163
ΔH_f, kcal/mol:	70.28
Dipole, Da:	4.46
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(2-methoxyphenyl)sulfanylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)SCC(C#N)Cl

DOS

IR

Vibrations