Geometry & MOs

Info

ID:

431368

PubChem CID:

135171443

Reduced:

BrN4O4H25C28 (1)

Stoich.:

AB4C4D25E28 (1)

Weight, g/mol:

595.198632

ΔHf, kcal/mol:

-56.07

Dipole, Da:

2.33

IP(EA), eV:

 -8.76(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[(5-formylpyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-5-[(2-formylpiperidin-1-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)C(=O)NC2=CC=CC(=C2OC)C3=C(C(=CC=C3)NC(=O)C4=NC=CC(=C4)OC)C

DOS

IR

Vibrations