Geometry & MOs

Info

ID:	73861
PubChem CID:	48420802
Reduced:	ClSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	394.083268
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	7.83
IP(EA), eV:	-9.82(-1.19)
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-(1,3-oxazol-5-yl)benzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations