Geometry & MOs

Info

ID:	236397
PubChem CID:	92712694
Reduced:	Cl2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	518.143764
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	6.07
IP(EA), eV:	-9.25(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-3-acetyl-5-[2-[(4-nitrobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations