Geometry & MOs

Info

ID:	236421
PubChem CID:	92712792
Reduced:	Cl2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	517.145829
ΔH_f, kcal/mol:	-20.54
Dipole, Da:	3.59
IP(EA), eV:	-9.4(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(2S)-3-acetyl-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)triazol-1-yl]-1,2,5-oxadiazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations