Geometry & MOs

Info

ID:	31715
PubChem CID:	865810
Reduced:	FSN4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	345.070261
ΔH_f, kcal/mol:	50.71
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenol

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)F

DOS

IR

Vibrations