Geometry & MOs

Info

ID:

318413

PubChem CID:

126651181

Reduced:

SN4O8C23H28 (1)

Stoich.:

AB4C8D23E28 (1)

Weight, g/mol:

1051.393196

ΔHf, kcal/mol:

-198.47

Dipole, Da:

7.46

IP(EA), eV:

 -9.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CCOC(=O)N3CCC(CC3)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations