Geometry & MOs

Info

ID:	140319
PubChem CID:	52682002
Reduced:	SO2N4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	404.224597
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	3.8
IP(EA), eV:	-8.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenoxy)-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCC(=O)NCCCC2=NN=C(N2CC(C)C)SC)C

DOS

IR

Vibrations