Geometry & MOs

Info

ID:

98620

PubChem CID:

50045332

Reduced:

F2N5O5C38H39 (1)

Stoich.:

A2B5C5D38E39 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-230.32

Dipole, Da:

9.47

IP(EA), eV:

 -8.57(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations