Geometry & MOs

Info

ID:

96371

PubChem CID:

50020124

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-269.5

Dipole, Da:

7.95

IP(EA), eV:

 -8.94(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations