Geometry & MOs

Info

ID:	55634
PubChem CID:	17395701
Reduced:	BrSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	328.056088
ΔH_f, kcal/mol:	57.68
Dipole, Da:	5.59
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)Br

DOS

IR

Vibrations