Geometry & MOs

Info

ID:

120321

PubChem CID:

50722601

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-264.04

Dipole, Da:

4.39

IP(EA), eV:

 -8.56(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(3-fluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations