Geometry & MOs

Info

ID:	22414
PubChem CID:	597170
Reduced:	NO2S2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	227.007471
ΔH_f, kcal/mol:	39.21
Dipole, Da:	4.72
IP(EA), eV:	-9.22(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-nitrobenzenecarbodithioate

Drug info:

PubChemData

Smile

CCSC(=S)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations