Geometry & MOs

Info

ID:	157528
PubChem CID:	56435543
Reduced:	ClIO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	440.13657
ΔH_f, kcal/mol:	1.49
Dipole, Da:	2.91
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=C(C=C2)Cl)I

DOS

IR

Vibrations