Geometry & MOs

Info

ID:	354807
PubChem CID:	127287567
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	7.95
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)SCC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations