Geometry & MOs

Info

ID:

318501

PubChem CID:

126651543

Reduced:

NSO4C20H25 (1)

Stoich.:

ABC4D20E25 (1)

Weight, g/mol:

960.350997

ΔHf, kcal/mol:

-111.72

Dipole, Da:

3.55

IP(EA), eV:

-9.25(-0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-4-[6-[4-[(2R)-2-[(dimethylamino)methyl]cyclopropyl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;(2R)-N-hydroxy-4-[6-[2-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)OC[C@]1([C@@H](CN1)COCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations