Geometry & MOs

Info

ID:	262379
PubChem CID:	103289445
Reduced:	ClSO2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	226.033147
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	6.04
IP(EA), eV:	-8.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC2=CC=C(C=C2)/C=C/C(=O)O)Cl

DOS

IR

Vibrations