Geometry & MOs

Info

ID:

119286

PubChem CID:

50676626

Reduced:

ClF2O5N6C38H41 (1)

Stoich.:

AB2C5D6E38F41 (1)

Weight, g/mol:

738.306324

ΔHf, kcal/mol:

-266.3

Dipole, Da:

1.67

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations