Geometry & MOs

Info

ID:

111101

PubChem CID:

50352250

Reduced:

FO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-261.97

Dipole, Da:

10.39

IP(EA), eV:

 -8.7(-0.77)

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-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C(C)CC)F)C

DOS

IR

Vibrations