Geometry & MOs

Info

ID:	148894
PubChem CID:	53788564
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	217.012826
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	3.18
IP(EA), eV:	-9.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-fluorophenyl)methylideneamino]ethanethiol

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1OC)OCC2=CC=CC=C2

DOS

IR

Vibrations