Geometry & MOs

Info

ID:

93506

PubChem CID:

49995091

Reduced:

ClO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-156.99

Dipole, Da:

10.59

IP(EA), eV:

 -8.61(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[4-methyl-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations