Geometry & MOs

Info

ID:

113338

PubChem CID:

50440602

Reduced:

F2O5N6C43H52 (1)

Stoich.:

A2B5C6D43E52 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-295.0

Dipole, Da:

3.09

IP(EA), eV:

 -8.76(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[1-[3-[(2,4-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)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F)C

DOS

IR

Vibrations