Geometry & MOs

Info

ID:

100135

PubChem CID:

50058651

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-245.18

Dipole, Da:

7.01

IP(EA), eV:

 -8.76(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations