Geometry & MOs

Info

ID:

316182

PubChem CID:

126630325

Reduced:

N5O6C35H47 (1)

Stoich.:

A5B6C35D47 (1)

Weight, g/mol:

359.173273

ΔHf, kcal/mol:

-212.46

Dipole, Da:

8.75

IP(EA), eV:

 -9.19(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[2-[(1R)-1-(1-hydroxyethoxy)ethyl]quinolin-7-yl]-2-(1-hydroxyethyl)-2-methylbut-3-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)N[C@H](C(=O)NC(C(=O)N4CCC[C@H](N4)C(=O)O1)CC5CCOCC5)C(C)C)(C)C)C=C2

DOS

IR

Vibrations