Geometry & MOs

Info

ID:

112202

PubChem CID:

50398239

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

619.37337

ΔHf, kcal/mol:

-193.64

Dipole, Da:

7.11

IP(EA), eV:

 -8.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations