Geometry & MOs

Info

ID:	322011
PubChem CID:	126668248
Reduced:	O6C8H11 (2)
Stoich.:	A6B8C11 (2)
Weight, g/mol:	649.16767
ΔH_f, kcal/mol:	-485.65
Dipole, Da:	1.78
IP(EA), eV:	-10.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-4-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butan-2-yl]oxy-3-fluoro-2-(hydroxymethyl)benzenesulfinic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)OCCOC(=O)OC1COC2C1OCC2OC(=O)OCCO

DOS

IR

Vibrations