Geometry & MOs

Info

ID:

99258

PubChem CID:

50049508

Reduced:

F2O5N6C43H52 (1)

Stoich.:

A2B5C6D43E52 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-286.92

Dipole, Da:

7.37

IP(EA), eV:

 -8.72(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations