Geometry & MOs

Info

ID:

323393

PubChem CID:

126674681

Reduced:

Cl2O3N4H16C27 (1)

Stoich.:

A2B3C4D16E27 (1)

Weight, g/mol:

594.311853

ΔHf, kcal/mol:

37.94

Dipole, Da:

4.88

IP(EA), eV:

 -9.17(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(6-fluoropyridin-3-yl)-N-[(1S)-2-[[4-[4-(1-piperazin-1-ylethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC2=C(C=CC(=C2)NC(=O)NC3=CC(=C(C=C3)Cl)OC4=CC=C(C=C4)C#N)Cl

DOS

IR

Vibrations