Geometry & MOs

Info

ID:	52945
PubChem CID:	14709262
Reduced:	OSN6H20C21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	307.064255
ΔH_f, kcal/mol:	114.06
Dipole, Da:	8.83
IP(EA), eV:	-8.82(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,2,2-trifluoro-2-(3-methylphenyl)-1-phenylethyl] thiocyanate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC2=NN=C3N2NC4=NC5=CC=CC=C5N=C4S3

DOS

IR

Vibrations