Geometry & MOs

Info

ID:

161730

PubChem CID:

57392468

Reduced:

SF2N2O7H22C24 (1)

Stoich.:

AB2C2D7E22F24 (1)

Weight, g/mol:

502.114293

ΔHf, kcal/mol:

-281.74

Dipole, Da:

5.38

IP(EA), eV:

 -8.97(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(O2)C3=C(C=C(C=C3)F)F)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations