Geometry & MOs

Info

ID:

111220

PubChem CID:

50358571

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-165.85

Dipole, Da:

8.95

IP(EA), eV:

 -8.76(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations