Geometry & MOs

Info

ID:	244912
PubChem CID:	99431576
Reduced:	SN2F3O4C24H29 (1)
Stoich.:	AB2C3D4E24F29 (1)
Weight, g/mol:	357.101034
ΔH_f, kcal/mol:	-309.53
Dipole, Da:	10.22
IP(EA), eV:	-9.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-3-yl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations