Geometry & MOs

Info

ID:

431388

PubChem CID:

135171463

Reduced:

FSO2N4C19H19 (1)

Stoich.:

ABC2D4E19F19 (1)

Weight, g/mol:

604.182351

ΔHf, kcal/mol:

-8.61

Dipole, Da:

4.98

IP(EA), eV:

 -8.7(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]-2-fluorophenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)F)SN(C)C2=CC3=C(N=C2)OCCN4C3=CC=N4

DOS

IR

Vibrations