Geometry & MOs

Info

ID:

114566

PubChem CID:

50488578

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-310.7

Dipole, Da:

7.54

IP(EA), eV:

 -8.9(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations