Geometry & MOs

Info

ID:	123203
PubChem CID:	50837058
Reduced:	SO3N6C25H28 (1)
Stoich.:	AB3C6D25E28 (1)
Weight, g/mol:	426.109483
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	6.75
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC(=O)NC(C)C

DOS

IR

Vibrations