Geometry & MOs

Info

ID:	57662
PubChem CID:	22431051
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	0.97
Dipole, Da:	6.49
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations