Geometry & MOs

Info

ID:

311952

PubChem CID:

126599434

Reduced:

BrO3N4C22H23 (1)

Stoich.:

AB3C4D22E23 (1)

Weight, g/mol:

566.311772

ΔHf, kcal/mol:

-44.77

Dipole, Da:

1.47

IP(EA), eV:

 -8.94(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(dimethylamino)-N-[[5-[5-[3-[2-[(1S)-1-(methylamino)ethyl]-1H-imidazol-5-yl]phenyl]-1,3-oxazol-2-yl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC=C[C@H]1C2=NC=C(N2)C3=NC=C(O3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations