Geometry & MOs

Info

ID:

93301

PubChem CID:

49993084

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-240.46

Dipole, Da:

8.06

IP(EA), eV:

 -9.01(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations