Geometry & MOs

Info

ID:	244837
PubChem CID:	99431417
Reduced:	NF3O6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	433.161326
ΔH_f, kcal/mol:	-355.82
Dipole, Da:	4.56
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]propyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations