Geometry & MOs

Info

ID:

232886

PubChem CID:

87577390

Reduced:

Br2O3N4C24H34 (1)

Stoich.:

A2B3C4D24E34 (1)

Weight, g/mol:

1139.411678

ΔHf, kcal/mol:

-98.6

Dipole, Da:

4.29

IP(EA), eV:

 -8.76(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[bis[[2-methyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxypropan-2-yl]carbamoyloxymethoxy]phosphoryl]-1-hydroxy-4-(phenylmethoxycarbonylamino)butyl]phosphonic acid

Drug info:

PubChemData

Smile

CC(C)C(C(C1=NC(=CC=C1)Br)N2CCOCC2)O.C1COCCN1CC2=NC(=CC=C2)Br

DOS

IR

Vibrations