Geometry & MOs

Info

ID:

106168

PubChem CID:

50151241

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

596.312247

ΔHf, kcal/mol:

-267.88

Dipole, Da:

6.97

IP(EA), eV:

 -8.8(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C)C

DOS

IR

Vibrations