Geometry & MOs

Info

ID:

378471

PubChem CID:

134224553

Reduced:

FIN2O6H24C27 (1)

Stoich.:

ABC2D6E24F27 (1)

Weight, g/mol:

653.3265

ΔHf, kcal/mol:

-204.14

Dipole, Da:

4.79

IP(EA), eV:

 -9.28(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2S,3R,5S)-2-[[3-[6-(diethylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoyl]amino]-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=CC(=CC=C3)C(=O)NC(CO)(CO)CO)I)C4=CC=C(C=C4)F

DOS

IR

Vibrations