Geometry & MOs

Info

ID:	236398
PubChem CID:	92712696
Reduced:	N2O4H11C13 (2)
Stoich.:	A2B4C11D13 (2)
Weight, g/mol:	437.054526
ΔH_f, kcal/mol:	-141.37
Dipole, Da:	5.91
IP(EA), eV:	-8.9(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)OC(=O)C)OC

DOS

IR

Vibrations