Geometry & MOs

Info

ID:	236899
PubChem CID:	92715522
Reduced:	N6O6C17H20 (1)
Stoich.:	A6B6C17D20 (1)
Weight, g/mol:	400.101899
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	9.94
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)CCNC2=NNC(=O)NC2=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations