Geometry & MOs

Info

ID:

93663

PubChem CID:

49995943

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-270.46

Dipole, Da:

8.66

IP(EA), eV:

 -8.81(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-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)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=CC=C6)F)OC

DOS

IR

Vibrations