Geometry & MOs

Info

ID:	244892
PubChem CID:	99431548
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	394.150427
ΔH_f, kcal/mol:	-261.74
Dipole, Da:	7.0
IP(EA), eV:	-9.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations