Geometry & MOs

Info

ID:

119256

PubChem CID:

50675111

Reduced:

Cl2O3N4C27H32 (1)

Stoich.:

A2B3C4D27E32 (1)

Weight, g/mol:

758.335875

ΔHf, kcal/mol:

-125.9

Dipole, Da:

6.5

IP(EA), eV:

 -9.06(-0.57)

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-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations