Geometry & MOs

Info

ID:

325539

PubChem CID:

126683854

Reduced:

NO3C32H33 (1)

Stoich.:

AB3C32D33 (1)

Weight, g/mol:

499.215887

ΔHf, kcal/mol:

-70.23

Dipole, Da:

5.68

IP(EA), eV:

 -8.58(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-fluoro-3-[(2R,4R)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1C)[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations