Geometry & MOs

Info

ID:

80040

PubChem CID:

49832374

Reduced:

FSO2N4C26H31 (1)

Stoich.:

ABC2D4E26F31 (1)

Weight, g/mol:

704.369956

ΔHf, kcal/mol:

-55.54

Dipole, Da:

8.45

IP(EA), eV:

 -8.94(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NC4=NC5=C(S4)C=C(C=C5)F)C36CC6

DOS

IR

Vibrations