Geometry & MOs

Info

ID:

318489

PubChem CID:

126651515

Reduced:

SN4O5C22H27 (2)

Stoich.:

AB4C5D22E27 (2)

Weight, g/mol:

472.178041

ΔHf, kcal/mol:

-46.08

Dipole, Da:

6.12

IP(EA), eV:

 -8.8(-0.51)

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

Drug info:

PubChemData

Smile

CCN1CC(C1)C#CC#CC2=CN3C(=C2)CN(C3=O)CC[C@](C)(C(=O)NO)S(=O)(=O)C.C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)CC4CC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations