Geometry & MOs

Info

ID:

95061

PubChem CID:

50006091

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-236.83

Dipole, Da:

11.3

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations