Geometry & MOs

Info

ID:

112949

PubChem CID:

50427178

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-185.58

Dipole, Da:

4.7

IP(EA), eV:

 -8.76(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propanoylamino)anilino]-2-oxoethyl]-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations