Geometry & MOs

Info

ID:	236431
PubChem CID:	92712907
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	512.03315
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[(4-bromophenoxy)methyl]-5-[4-(5-nitropyridin-2-yl)oxyphenyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H]2N(N=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations