Geometry & MOs

Info

ID:	244919
PubChem CID:	99431595
Reduced:	SF3N3O3C23H24 (1)
Stoich.:	AB3C3D3E23F24 (1)
Weight, g/mol:	428.111455
ΔH_f, kcal/mol:	-263.35
Dipole, Da:	7.14
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-oxo-1-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCC[C@@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations