Geometry & MOs

Info

ID:

313879

PubChem CID:

126618415

Reduced:

BrFN5O7C27H27 (1)

Stoich.:

ABC5D7E27F27 (1)

Weight, g/mol:

350.147786

ΔHf, kcal/mol:

-245.12

Dipole, Da:

9.44

IP(EA), eV:

 -8.68(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[5-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-2-nitrophenyl]-N,N-dimethylethenamine

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=NC(=CC=C6)Br)F

DOS

IR

Vibrations