Geometry & MOs

Info

ID:	236898
PubChem CID:	92715520
Reduced:	N2Cl3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	404.144432
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	4.65
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]ethylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)COC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations