Geometry & MOs

Info

ID:	191129
PubChem CID:	78108428
Reduced:	N3O6H27C29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	516.180898
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	5.32
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-5-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-[1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(=O)C(OC2=O)(CC3=CC=CC=C3)C4=NN=C(O4)CC5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations