Geometry & MOs

Info

ID:

107222

PubChem CID:

50195391

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-231.51

Dipole, Da:

3.56

IP(EA), eV:

 -8.85(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations