Geometry & MOs

Info

ID:

100417

PubChem CID:

50061226

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-282.88

Dipole, Da:

13.13

IP(EA), eV:

 -8.5(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations