Geometry & MOs

Info

ID:	236390
PubChem CID:	92712669
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	5.15
IP(EA), eV:	-9.34(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-3-acetyl-2-ethyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC[C@@]1(N(N=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)C3=CC=C(C=C3)OC(=O)C

DOS

IR

Vibrations