Geometry & MOs

Info

ID:

107940

PubChem CID:

50224731

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

652.374847

ΔHf, kcal/mol:

-258.81

Dipole, Da:

6.08

IP(EA), eV:

 -8.95(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations