Geometry & MOs

Info

ID:

120364

PubChem CID:

50724360

Reduced:

ClN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-154.98

Dipole, Da:

10.01

IP(EA), eV:

 -8.47(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(cyclohexanecarbonylamino)-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations