Geometry & MOs

Info

ID:

327949

PubChem CID:

126691478

Reduced:

ClO3N4C24H27 (1)

Stoich.:

AB3C4D24E27 (1)

Weight, g/mol:

504.161803

ΔHf, kcal/mol:

-90.76

Dipole, Da:

8.14

IP(EA), eV:

 -9.58(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(Z)-but-2-en-2-yl]-1-[5-(4-fluorophenyl)thiophen-2-yl]-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]penta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations