Geometry & MOs

Info

ID:

148633

PubChem CID:

53788301

Reduced:

OC5H5 (2)

Stoich.:

AB5C5 (2)

Weight, g/mol:

532.243418

ΔHf, kcal/mol:

-34.49

Dipole, Da:

3.14

IP(EA), eV:

-9.23(-0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[5-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)C(=CCC=C=O)C=C1

DOS

IR

Vibrations