Geometry & MOs

Info

ID:

110613

PubChem CID:

50332522

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-186.5

Dipole, Da:

11.7

IP(EA), eV:

 -9.09(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC)C

DOS

IR

Vibrations