Geometry & MOs

Info

ID:	156414
PubChem CID:	56370515
Reduced:	SO2F3N5C19H24 (1)
Stoich.:	AB2C3D5E19F24 (1)
Weight, g/mol:	388.229683
ΔH_f, kcal/mol:	-184.36
Dipole, Da:	9.64
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations