Geometry & MOs

Info

ID:	318485
PubChem CID:	126651502
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	434.159295
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	4.69
IP(EA), eV:	-9.67(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(dideuteriomethylsulfonyl)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](N1C(=O)O)CI)COCC2=CC=CC=C2

DOS

IR

Vibrations