Geometry & MOs

Info

ID:	244890
PubChem CID:	99431546
Reduced:	NF3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	443.170828
ΔH_f, kcal/mol:	-220.38
Dipole, Da:	1.67
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryloxy-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations