Geometry & MOs

Info

ID:	321981
PubChem CID:	126667646
Reduced:	SO3N4F5C20H21 (1)
Stoich.:	AB3C4D5E20F21 (1)
Weight, g/mol:	319.119988
ΔH_f, kcal/mol:	-317.91
Dipole, Da:	6.39
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1S,2S)-2-(methylamino)cyclopentyl]-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C2=C(C=C(C=C2)S(F)(F)(F)(F)F)NC(=O)N[C@@H]3CC4=CC=CC=C4[C@@H]3O

DOS

IR

Vibrations