Geometry & MOs

Info

ID:	402371
PubChem CID:	135055706
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	486.072435
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3,3,3-trifluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)OC(=O)C)[C@H](C2=CC(=CC=C2)OC(=O)C)C3=CC=CC=N3

DOS

IR

Vibrations