Geometry & MOs

Info

ID:

110008

PubChem CID:

50305232

Reduced:

FO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-254.83

Dipole, Da:

4.63

IP(EA), eV:

 -8.76(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F)C(=O)N

DOS

IR

Vibrations