Geometry & MOs

Info

ID:

93750

PubChem CID:

49996485

Reduced:

FO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-284.37

Dipole, Da:

8.81

IP(EA), eV:

 -8.76(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations