Geometry & MOs

Info

ID:

378209

PubChem CID:

134224285

Reduced:

PN6O7C22H27 (1)

Stoich.:

AB6C7D22E27 (1)

Weight, g/mol:

498.263091

ΔHf, kcal/mol:

-260.77

Dipole, Da:

7.75

IP(EA), eV:

 -9.4(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-methyl-1-oxo-1-[[5-[4-[(E)-pent-3-en-1-ynyl]-3-phenylphenyl]-1H-imidazol-2-yl]methyl-propylamino]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC=C)NP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OC4=CC=CC=C4

DOS

IR

Vibrations