Geometry & MOs

Info

ID:

117010

PubChem CID:

50584693

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

670.304574

ΔHf, kcal/mol:

-255.25

Dipole, Da:

8.05

IP(EA), eV:

 -8.92(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-fluoro-5-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F)Cl

DOS

IR

Vibrations