Geometry & MOs

Info

ID:	54383
PubChem CID:	17137132
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	416.03064
ΔH_f, kcal/mol:	40.84
Dipole, Da:	3.86
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations