Geometry & MOs

Info

ID:

392839

PubChem CID:

135018149

Reduced:

NOH21C28 (1)

Stoich.:

ABC21D28 (1)

Weight, g/mol:

1166.459861

ΔHf, kcal/mol:

106.34

Dipole, Da:

4.69

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-4-nitro-N-[(1R,4R,5S,6S)-4,5,6-tris(phenylmethoxy)-3-(phenylmethoxymethyl)cyclohex-2-en-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN=C2C3=CC=CC=C3C(=C(C4=CC=CC=C4)C5=CC=CC=C5)O2

DOS

IR

Vibrations