Geometry & MOs

Info

ID:	368326
PubChem CID:	127327919
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-120.73
Dipole, Da:	4.03
IP(EA), eV:	-8.88(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-tert-butylazepane-1-carbonyl)phenyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(CC2)NC(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations