Geometry & MOs

Info

ID:

119233

PubChem CID:

50674828

Reduced:

Cl2N6O6C31H38 (1)

Stoich.:

A2B6C6D31E38 (1)

Weight, g/mol:

758.335875

ΔHf, kcal/mol:

-238.25

Dipole, Da:

2.09

IP(EA), eV:

 -9.23(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations