Geometry & MOs

Info

ID:

105887

PubChem CID:

50140620

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-231.93

Dipole, Da:

10.53

IP(EA), eV:

 -8.69(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylphenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations