Geometry & MOs

Info

ID:

93553

PubChem CID:

49995373

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-176.34

Dipole, Da:

2.92

IP(EA), eV:

 -8.93(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations