Geometry & MOs

Info

ID:

108290

PubChem CID:

50240031

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-191.91

Dipole, Da:

11.01

IP(EA), eV:

 -8.86(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)Cl

DOS

IR

Vibrations