Geometry & MOs

Info

ID:	37825
PubChem CID:	8024916
Reduced:	SN3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	345.070261
ΔH_f, kcal/mol:	54.47
Dipole, Da:	5.54
IP(EA), eV:	-8.1(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenoxy)methyl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H](CNC2CCSCC2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations