Geometry & MOs

Info

ID:

116157

PubChem CID:

50549586

Reduced:

ClFO4N5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-208.06

Dipole, Da:

6.39

IP(EA), eV:

 -8.84(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[3-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)F

DOS

IR

Vibrations