Geometry & MOs

Info

ID:

105013

PubChem CID:

50106162

Reduced:

F2O5N6C42H52 (1)

Stoich.:

A2B5C6D42E52 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-284.87

Dipole, Da:

10.81

IP(EA), eV:

 -9.05(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)C

DOS

IR

Vibrations