Geometry & MOs

Info

ID:	158873
PubChem CID:	57244122
Reduced:	ClSN2O2C3H5 (1)
Stoich.:	ABC2D2E3F5 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	4.47
IP(EA), eV:	-11.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrosotridec-12-enoic acid

Drug info:

PubChemData

Smile

C(C#N)C(S(=O)(=O)N)Cl

DOS

IR

Vibrations