Geometry & MOs

Info

ID:	139330
PubChem CID:	52511442
Reduced:	FO3N5C24H30 (1)
Stoich.:	AB3C5D24E30 (1)
Weight, g/mol:	357.192666
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	5.95
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[(2S)-1-benzylpyrrolidin-1-ium-2-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C12C(=O)N(C(=O)N2)CN3CCC[C@@H](C3)C4=NC(=NO4)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations