Geometry & MOs

Info

ID:

236422

PubChem CID:

92712795

Reduced:

O6N9H19C23 (1)

Stoich.:

A6B9C19D23 (1)

Weight, g/mol:

517.145829

ΔHf, kcal/mol:

71.45

Dipole, Da:

7.27

IP(EA), eV:

 -9.27(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[(2R)-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

CC1=CC=C(C=C1)C2=NN([C@@H](O2)C3=C(N(N=N3)C4=NON=C4NC(=O)C)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations