Geometry & MOs

Info

ID:

110550

PubChem CID:

50329902

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-235.9

Dipole, Da:

10.65

IP(EA), eV:

 -8.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC(C)C

DOS

IR

Vibrations