Geometry & MOs

Info

ID:	318411
PubChem CID:	126651168
Reduced:	OCl2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	492.147884
ΔH_f, kcal/mol:	37.26
Dipole, Da:	2.58
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[6-[4-[3-fluoro-1-(oxetan-3-yl)azetidin-3-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(N=CC=C2)Cl)OCC3=NNCN3C

DOS

IR

Vibrations