Geometry & MOs

Info

ID:	244898
PubChem CID:	99431555
Reduced:	NF3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	451.088756
ΔH_f, kcal/mol:	-265.23
Dipole, Da:	5.37
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiophen-2-ylmethylsulfanyl)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations