Geometry & MOs

Info

ID:

94322

PubChem CID:

49999659

Reduced:

FO5N6C43H55 (1)

Stoich.:

AB5C6D43E55 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-251.33

Dipole, Da:

8.51

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations