Geometry & MOs

Info

ID:	133084
PubChem CID:	51474860
Reduced:	SF3O3N4C21H21 (1)
Stoich.:	AB3C3D4E21F21 (1)
Weight, g/mol:	466.128646
ΔH_f, kcal/mol:	-198.33
Dipole, Da:	9.34
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S[C@@H](C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3OC

DOS

IR

Vibrations