Geometry & MOs

Info

ID:	73863
PubChem CID:	48420838
Reduced:	ClSO2N5H10C13 (1)
Stoich.:	ABC2D5E10F13 (1)
Weight, g/mol:	415.093498
ΔH_f, kcal/mol:	51.33
Dipole, Da:	3.31
IP(EA), eV:	-10.04(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 4-(2-methoxy-2-oxoethoxy)benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CN2C=NC=N2)OC(=O)C3=CN=NS3)Cl

DOS

IR

Vibrations