Geometry & MOs

Info

ID:

118580

PubChem CID:

50647755

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-282.76

Dipole, Da:

4.11

IP(EA), eV:

 -9.22(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations