Geometry & MOs

Info

ID:

318430

PubChem CID:

126651359

Reduced:

S2N8O11C48H60 (1)

Stoich.:

A2B8C11D48E60 (1)

Weight, g/mol:

486.193691

ΔHf, kcal/mol:

-123.17

Dipole, Da:

3.58

IP(EA), eV:

 -8.95(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[6-[4-(1-cyclopentylazetidin-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

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)C4CCCC4)(C(=O)NO)S(=O)(=O)C.CC(CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)C4CCOCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations