Geometry & MOs

Info

ID:

111812

PubChem CID:

50381981

Reduced:

FN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-242.3

Dipole, Da:

7.36

IP(EA), eV:

 -8.82(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations