Geometry & MOs

Info

ID:	86038
PubChem CID:	49881199
Reduced:	FSO3N4H21C25 (1)
Stoich.:	ABC3D4E21F25 (1)
Weight, g/mol:	486.172562
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	7.62
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations