Geometry & MOs

Info

ID:	73859
PubChem CID:	48420793
Reduced:	ClSO3N5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	408.098918
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	9.52
IP(EA), eV:	-9.65(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

Drug info:

PubChemData

Smile

C1CSC2=NC=C(C(=O)N21)C(=O)OC(CN3C=NC=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations