Geometry & MOs

Info

ID:

318488

PubChem CID:

126651510

Reduced:

BrClNC7H11 (1)

Stoich.:

ABCD7E11 (1)

Weight, g/mol:

918.340432

ΔHf, kcal/mol:

19.48

Dipole, Da:

3.09

IP(EA), eV:

-9.28(0.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

CCC1(CNC1)C#CBr.Cl

DOS

IR

Vibrations