Geometry & MOs

Info

ID:	244938
PubChem CID:	99431626
Reduced:	SN2F3O4C14H19 (1)
Stoich.:	AB2C3D4E14F19 (1)
Weight, g/mol:	421.14134
ΔH_f, kcal/mol:	-320.41
Dipole, Da:	2.96
IP(EA), eV:	-9.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2,3-dimethyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]quinoxaline-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)NCC[C@@](C1=CC=CC=C1)(C(F)(F)F)O

DOS

IR

Vibrations