Geometry & MOs

Info

ID:

92849

PubChem CID:

49990008

Reduced:

ClO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-231.75

Dipole, Da:

6.64

IP(EA), eV:

 -8.83(-0.52)

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-[(2-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations