Geometry & MOs

Info

ID:

93500

PubChem CID:

49995079

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-211.72

Dipole, Da:

6.64

IP(EA), eV:

 -8.59(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations