Geometry & MOs

Info

ID:

109361

PubChem CID:

50281842

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-246.74

Dipole, Da:

6.84

IP(EA), eV:

 -8.58(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)C)C)F

DOS

IR

Vibrations