Geometry & MOs

Info

ID:

110272

PubChem CID:

50318093

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-228.27

Dipole, Da:

9.51

IP(EA), eV:

 -8.81(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations