Geometry & MOs

Info

ID:	54391
PubChem CID:	17137189
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	374.101289
ΔH_f, kcal/mol:	7.59
Dipole, Da:	5.08
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations