Geometry & MOs

Info

ID:

106410

PubChem CID:

50162467

Reduced:

FO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-257.49

Dipole, Da:

6.36

IP(EA), eV:

 -8.63(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations