Geometry & MOs

Info

ID:	244829
PubChem CID:	99431387
Reduced:	NF3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	441.05513
ΔH_f, kcal/mol:	-221.1
Dipole, Da:	3.3
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(3-bromophenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O)C3=CC=CC=C3

DOS

IR

Vibrations