Geometry & MOs

Info

ID:	223965
PubChem CID:	85336345
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	51.27
Dipole, Da:	6.73
IP(EA), eV:	-9.24(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]cyclooctanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)C(=O)NC3=CC4=NC(=S)N=C4C=C3

DOS

IR

Vibrations