Geometry & MOs

Info

ID:	62715
PubChem CID:	26736298
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	466.127503
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	4.56
IP(EA), eV:	-8.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=NN(C(=O)CC2)C3=CC=CC(=C3)C

DOS

IR

Vibrations