Geometry & MOs

Info

ID:

420613

PubChem CID:

135114340

Reduced:

N8O9C35H48 (1)

Stoich.:

A8B9C35D48 (1)

Weight, g/mol:

328.142307

ΔHf, kcal/mol:

-375.74

Dipole, Da:

9.95

IP(EA), eV:

 -9.55(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-pyridin-2-ylphenoxy]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC(=O)N(C(=O)N4C)C)O

DOS

IR

Vibrations