Geometry & MOs

Info

ID:

434945

PubChem CID:

135176043

Reduced:

ClFO3N5C27H27 (1)

Stoich.:

ABC3D5E27F27 (1)

Weight, g/mol:

643.211695

ΔHf, kcal/mol:

-85.19

Dipole, Da:

1.35

IP(EA), eV:

 -9.28(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[7-chloro-5-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCCC[C@H]1N3C4=NC(=C(C=C4C(=NC3=O)N5CCN(CC5)C(=O)C=C)Cl)C6=C(O2)C=CC=C6F

DOS

IR

Vibrations