Geometry & MOs

Info

ID:	236373
PubChem CID:	92712549
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	5.57
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN([C@](O2)(C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations