Geometry & MOs

Info

ID:

96763

PubChem CID:

50024339

Reduced:

FO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-225.32

Dipole, Da:

9.33

IP(EA), eV:

 -9.0(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations