Geometry & MOs

Info

ID:

120459

PubChem CID:

50728800

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-256.47

Dipole, Da:

6.47

IP(EA), eV:

 -9.01(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[4-(phenylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations