Geometry & MOs

Info

ID:	164495
PubChem CID:	74406756
Reduced:	O3N6C28H56 (1)
Stoich.:	A3B6C28D56 (1)
Weight, g/mol:	463.157065
ΔH_f, kcal/mol:	-220.45
Dipole, Da:	6.04
IP(EA), eV:	-9.51(0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations