Geometry & MOs

Info

ID:

111169

PubChem CID:

50355157

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-262.89

Dipole, Da:

5.69

IP(EA), eV:

 -9.06(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations