Geometry & MOs

Info

ID:

100741

PubChem CID:

50063902

Reduced:

FN6O6C44H51 (1)

Stoich.:

AB6C6D44E51 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-251.87

Dipole, Da:

6.83

IP(EA), eV:

 -8.18(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC)F

DOS

IR

Vibrations