Geometry & MOs

Info

ID:

81384

PubChem CID:

49854667

Reduced:

BrO3H7C15 (1)

Stoich.:

AB3C7D15 (1)

Weight, g/mol:

653.293485

ΔHf, kcal/mol:

-38.44

Dipole, Da:

4.02

IP(EA), eV:

 -9.29(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methyl-1-phenylpropan-2-yl) 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=C(O3)C=C(C=C4)Br)C(=O)O2

DOS

IR

Vibrations