Geometry & MOs

Info

ID:	148794
PubChem CID:	53788463
Reduced:	NSSiO3C15H25 (1)
Stoich.:	ABCD3E15F25 (1)
Weight, g/mol:	446.095278
ΔH_f, kcal/mol:	-173.54
Dipole, Da:	4.26
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-bis[2-(trifluoromethyl)phenyl]propan-2-ylidene]butanedioic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OCCC1=C2CS(=O)(=O)NC2=CC=C1

DOS

IR

Vibrations