Geometry & MOs

Info

ID:

103898

PubChem CID:

50080821

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-251.6

Dipole, Da:

4.89

IP(EA), eV:

 -8.6(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)C

DOS

IR

Vibrations