Geometry & MOs

Info

ID:	129539
PubChem CID:	51073000
Reduced:	SF2N2H8C13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	349.076409
ΔH_f, kcal/mol:	5.36
Dipole, Da:	2.88
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenoxy)methyl]-4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CSC(=N1)/C(=C\C2=C(C=C(C=C2)F)F)/C#N

DOS

IR

Vibrations