Geometry & MOs

Info

ID:	244911
PubChem CID:	99431575
Reduced:	SN2F3O4C23H23 (1)
Stoich.:	AB2C3D4E23F23 (1)
Weight, g/mol:	498.180013
ΔH_f, kcal/mol:	-253.06
Dipole, Da:	5.26
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O)OC

DOS

IR

Vibrations