Geometry & MOs

Info

ID:

117011

PubChem CID:

50584694

Reduced:

ClFO5N6C34H44 (1)

Stoich.:

ABC5D6E34F44 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-267.17

Dipole, Da:

6.14

IP(EA), eV:

 -8.84(-0.44)

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-(4-fluorophenyl)acetyl]amino]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)C(C)C)F)Cl

DOS

IR

Vibrations