Geometry & MOs

Info

ID:	188168
PubChem CID:	77676917
Reduced:	SiF3O3C31H49 (1)
Stoich.:	AB3C3D31E49 (1)
Weight, g/mol:	383.081442
ΔH_f, kcal/mol:	-400.71
Dipole, Da:	4.67
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethylsulfonyl)-2-[4-fluoro-N-(2,2,2-trifluoroethyl)anilino]propanoic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1CCCC2(C1CCC2C(C)CCCC(CC(=O)O)C3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations