Geometry & MOs

Info

ID:

318466

PubChem CID:

126651451

Reduced:

SN4O6C24H30 (1)

Stoich.:

AB4C6D24E30 (1)

Weight, g/mol:

530.219906

ΔHf, kcal/mol:

-86.4

Dipole, Da:

5.32

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[6-[4-[1-(dimethylamino)cyclopropyl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CCN(CC3)C4COC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations