Geometry & MOs

Info

ID:

104241

PubChem CID:

50100108

Reduced:

ClN5O5C27H32 (1)

Stoich.:

AB5C5D27E32 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-184.7

Dipole, Da:

5.7

IP(EA), eV:

 -9.26(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations