Geometry & MOs

Info

ID:	139122
PubChem CID:	52476294
Reduced:	ClSN2O5C17H19 (1)
Stoich.:	ABC2D5E17F19 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-132.21
Dipole, Da:	6.21
IP(EA), eV:	-9.49(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)OC)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations