Geometry & MOs

Info

ID:	244931
PubChem CID:	99431617
Reduced:	SF3N3O3H20C21 (1)
Stoich.:	AB3C3D3E20F21 (1)
Weight, g/mol:	388.139862
ΔH_f, kcal/mol:	-240.12
Dipole, Da:	10.52
IP(EA), eV:	-9.46(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)(C(F)(F)F)O

DOS

IR

Vibrations