Geometry & MOs

Info

ID:

112136

PubChem CID:

50396522

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-204.68

Dipole, Da:

3.42

IP(EA), eV:

 -8.96(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=C(C=C3)OC)C(=O)NC4CCCC4

DOS

IR

Vibrations