Geometry & MOs

Info

ID:	158446
PubChem CID:	56463656
Reduced:	BrNSO5C16H24 (1)
Stoich.:	ABCD5E16F24 (1)
Weight, g/mol:	448.103911
ΔH_f, kcal/mol:	-209.82
Dipole, Da:	5.83
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)CC(=O)NCCS(=O)(=O)CC)Br)OCC

DOS

IR

Vibrations