Geometry & MOs

Info

ID:

108485

PubChem CID:

50247340

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-241.89

Dipole, Da:

12.1

IP(EA), eV:

 -8.75(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NCC(C)C)C

DOS

IR

Vibrations