Geometry & MOs

Info

ID:	244936
PubChem CID:	99431622
Reduced:	NSF3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	430.117413
ΔH_f, kcal/mol:	-280.0
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-sulfamoylphenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations