Geometry & MOs

Info

ID:

119568

PubChem CID:

50690616

Reduced:

ClN3O3C17H22 (2)

Stoich.:

AB3C3D17E22 (2)

Weight, g/mol:

748.295152

ΔHf, kcal/mol:

-264.1

Dipole, Da:

5.2

IP(EA), eV:

 -8.79(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations