Geometry & MOs

Info

ID:

111388

PubChem CID:

50364436

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-248.64

Dipole, Da:

4.91

IP(EA), eV:

 -8.8(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations