Geometry & MOs

Info

ID:

44270

PubChem CID:

10502321

Reduced:

BrNOC24H24 (1)

Stoich.:

ABCD24E24 (1)

Weight, g/mol:

422.135

ΔHf, kcal/mol:

30.5

Dipole, Da:

2.77

IP(EA), eV:

 -7.01(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,3S,4S)-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S)-2-tritiooxiran-2-yl]-3,4-dihydro-2H-pyran-4-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=[N+](CC2)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

DOS

IR

Vibrations