Geometry & MOs

Info

ID:

120249

PubChem CID:

50719234

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-226.07

Dipole, Da:

3.38

IP(EA), eV:

 -8.99(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations