Geometry & MOs

Info

ID:

110340

PubChem CID:

50320706

Reduced:

F2O5N6C44H48 (1)

Stoich.:

A2B5C6D44E48 (1)

Weight, g/mol:

760.374847

ΔHf, kcal/mol:

-257.72

Dipole, Da:

4.47

IP(EA), eV:

 -8.79(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F)C)C)F

DOS

IR

Vibrations