Geometry & MOs

Info

ID:

119395

PubChem CID:

50682841

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-261.57

Dipole, Da:

8.91

IP(EA), eV:

 -8.5(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations