Geometry & MOs

Info

ID:

108613

PubChem CID:

50251619

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-292.57

Dipole, Da:

3.05

IP(EA), eV:

 -8.78(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C)C

DOS

IR

Vibrations