Geometry & MOs

Info

ID:	324198
PubChem CID:	126677119
Reduced:	SF3O3N6H29C32 (1)
Stoich.:	AB3C3D6E29F32 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	2.48
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-methylsulfonyl-1,5-dihydro-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)[C@@H]4CC4C5=NN(C=N5)C6=CC=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations