Geometry & MOs

Info

ID:	236439
PubChem CID:	92712970
Reduced:	ClN4O7H17C20 (1)
Stoich.:	AB4C7D17E20 (1)
Weight, g/mol:	367.062677
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	12.1
IP(EA), eV:	-9.35(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)[C@@H]2N(N=C(O2)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])OC(=O)C)C(=O)C

DOS

IR

Vibrations