Geometry & MOs

Info

ID:

93654

PubChem CID:

49995902

Reduced:

F2O5N6C42H52 (1)

Stoich.:

A2B5C6D42E52 (1)

Weight, g/mol:

736.431219

ΔHf, kcal/mol:

-298.35

Dipole, Da:

9.7

IP(EA), eV:

 -8.77(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations