Geometry & MOs

Info

ID:

318406

PubChem CID:

126651135

Reduced:

ClF2N2O7C29H31 (1)

Stoich.:

AB2C2D7E29F31 (1)

Weight, g/mol:

450.137319

ΔHf, kcal/mol:

-355.27

Dipole, Da:

7.97

IP(EA), eV:

 -9.06(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[6-[4-(3-fluoropyrrolidin-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

CC(C)(C)OCCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)OCC(F)F)OC

DOS

IR

Vibrations