Geometry & MOs

Info

ID:	244935
PubChem CID:	99431621
Reduced:	SF3N3O4H18C19 (1)
Stoich.:	AB3C3D4E18F19 (1)
Weight, g/mol:	427.106514
ΔH_f, kcal/mol:	-247.47
Dipole, Da:	5.42
IP(EA), eV:	-10.11(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)(C(F)(F)F)O

DOS

IR

Vibrations