Geometry & MOs

Info

ID:

115139

PubChem CID:

50510938

Reduced:

ClFO5N6C40H40 (1)

Stoich.:

ABC5D6E40F40 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-185.52

Dipole, Da:

8.91

IP(EA), eV:

 -8.85(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations