Geometry & MOs

Info

ID:

106233

PubChem CID:

50153865

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-228.3

Dipole, Da:

8.43

IP(EA), eV:

 -8.62(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)N6CCCC6)C

DOS

IR

Vibrations