Geometry & MOs

Info

ID:

109091

PubChem CID:

50272018

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-257.04

Dipole, Da:

14.84

IP(EA), eV:

 -8.97(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations