Geometry & MOs

Info

ID:

95500

PubChem CID:

50009866

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

472.189275

ΔHf, kcal/mol:

-215.52

Dipole, Da:

8.69

IP(EA), eV:

 -8.65(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations