Geometry & MOs

Info

ID:

93526

PubChem CID:

49995129

Reduced:

N5O6C34H47 (1)

Stoich.:

A5B6C34D47 (1)

Weight, g/mol:

605.35772

ΔHf, kcal/mol:

-251.21

Dipole, Da:

11.2

IP(EA), eV:

 -8.68(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-methoxy-5-methylanilino)-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=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations