Geometry & MOs

Info

ID:	381160
PubChem CID:	134971811
Reduced:	ClOS2N3C10H14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	334.01801
ΔH_f, kcal/mol:	2.53
Dipole, Da:	4.16
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoprop-2-enoxy)-5,5,5-trifluoropent-1-en-3-yl]benzene

Drug info:

PubChemData

Smile

CCN(CC)C(=S)NNC(=O)C1=CC=C(S1)Cl

DOS

IR

Vibrations