Geometry & MOs

Info

ID:

110963

PubChem CID:

50345998

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-225.83

Dipole, Da:

5.88

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)Cl)C

DOS

IR

Vibrations