Geometry & MOs

Info

ID:	244925
PubChem CID:	99431603
Reduced:	F3N3O4C20H24 (1)
Stoich.:	A3B3C4D20E24 (1)
Weight, g/mol:	444.133063
ΔH_f, kcal/mol:	-328.48
Dipole, Da:	7.76
IP(EA), eV:	-10.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-N-methylsulfonylanilino)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations