Geometry & MOs

Info

ID:	244858
PubChem CID:	99431508
Reduced:	SF3N3O3H18C22 (1)
Stoich.:	AB3C3D3E18F22 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	6.81
IP(EA), eV:	-9.67(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCC[C@@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations