Geometry & MOs

Info

ID:

323801

PubChem CID:

126676206

Reduced:

SO4F5N6H27C30 (1)

Stoich.:

AB4C5D6E27F30 (1)

Weight, g/mol:

608.327503

ΔHf, kcal/mol:

-285.23

Dipole, Da:

4.35

IP(EA), eV:

 -9.01(-1.21)

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-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(NC3=CC(=C(C(=C3)F)OCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)F)O

DOS

IR

Vibrations