Geometry & MOs

Info

ID:

104860

PubChem CID:

50105789

Reduced:

ClF2O5N6C41H49 (1)

Stoich.:

AB2C5D6E41F49 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-299.22

Dipole, Da:

7.37

IP(EA), eV:

 -8.96(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations