Geometry & MOs

Info

ID:

325540

PubChem CID:

126683855

Reduced:

FNO4H30C31 (1)

Stoich.:

ABC4D30E31 (1)

Weight, g/mol:

511.252272

ΔHf, kcal/mol:

-135.95

Dipole, Da:

4.5

IP(EA), eV:

 -8.79(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2S,4S)-2-[3-[[(1R)-1-(4-fluoronaphthalen-1-yl)ethyl]amino]propyl]-3,4-dihydro-2H-chromen-4-yl]-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)NC[C@H]3C[C@H](C4=CC=CC=C4O3)C5=C(C=CC(=C5)OC(C)C(=O)O)F

DOS

IR

Vibrations