Geometry & MOs

Info

ID:	140135
PubChem CID:	52652720
Reduced:	ClSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	440.068544
ΔH_f, kcal/mol:	-158.33
Dipole, Da:	6.79
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)C(=O)NCCS(=O)(=O)NCC3=CC=CC=C3)Cl)OC1

DOS

IR

Vibrations