Geometry & MOs

Info

ID:

97029

PubChem CID:

50026890

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

692.313389

ΔHf, kcal/mol:

-300.54

Dipole, Da:

8.56

IP(EA), eV:

 -8.35(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-methoxy-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations