Geometry & MOs

Info

ID:	408369
PubChem CID:	135081135
Reduced:	OSN2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	251.998734
ΔH_f, kcal/mol:	46.6
Dipole, Da:	5.38
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=CC2=NC=CN12)C3=CC=CS3

DOS

IR

Vibrations