Geometry & MOs

Info

ID:	149952
PubChem CID:	53789634
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	292.053356
ΔH_f, kcal/mol:	-109.13
Dipole, Da:	6.62
IP(EA), eV:	-7.66(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(2,3,6-trifluoro-4-methylphenyl)prop-2-ene-1-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C2C=C(C(=O)C(=C2)OC)OC)NN1CC(=O)OC

DOS

IR

Vibrations