Geometry & MOs

Info

ID:	123195
PubChem CID:	50836898
Reduced:	S2N4O5H16C18 (1)
Stoich.:	A2B4C5D16E18 (1)
Weight, g/mol:	456.110356
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	13.11
IP(EA), eV:	-9.35(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(O3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations