Geometry & MOs

Info

ID:

431177

PubChem CID:

135171247

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

637.256816

ΔHf, kcal/mol:

-74.73

Dipole, Da:

5.08

IP(EA), eV:

 -8.97(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/CNCCO)\C=C/C(=C)C(=O)NC1=CC=CC(=C1Cl)C2=C(C(=CC=C2)NC(=O)C3=NC=C(C=C3)CNCCO)C

DOS

IR

Vibrations