Geometry & MOs

Info

ID:	244916
PubChem CID:	99431590
Reduced:	SF3N3O5C18H22 (1)
Stoich.:	AB3C3D5E18F22 (1)
Weight, g/mol:	388.139862
ΔH_f, kcal/mol:	-317.37
Dipole, Da:	7.84
IP(EA), eV:	-9.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrol-1-yl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations