Geometry & MOs

Info

ID:	40064
PubChem CID:	8143509
Reduced:	FCl2O2N3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	314.186852
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	13.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858082
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1Cl)Cl)F)[NH2+]CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations