Geometry & MOs

Info

ID:	421449
PubChem CID:	135116032
Reduced:	SN4O5C26H36 (1)
Stoich.:	AB4C5D26E36 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-199.58
Dipole, Da:	4.75
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)CCC2=CC=C(O2)C3=CC=CS3)C(C)C

DOS

IR

Vibrations