Geometry & MOs

Info

ID:	225937
PubChem CID:	87246445
Reduced:	NSiO3C12H27 (1)
Stoich.:	ABC3D12E27 (1)
Weight, g/mol:	458.106511
ΔH_f, kcal/mol:	-239.27
Dipole, Da:	2.84
IP(EA), eV:	-9.33(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-1H-indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC=NCCC[Si](OCC)(OCC)OCC

DOS

IR

Vibrations