Geometry & MOs

Info

ID:	36234
PubChem CID:	7982261
Reduced:	ClSF2O2N3H12C17 (1)
Stoich.:	ABC2D2E3F12G17 (1)
Weight, g/mol:	355.050588
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	8.7
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations