Geometry & MOs

Info

ID:

119950

PubChem CID:

50708326

Reduced:

ClF2O5N6C41H49 (1)

Stoich.:

AB2C5D6E41F49 (1)

Weight, g/mol:

590.181124

ΔHf, kcal/mol:

-298.2

Dipole, Da:

9.78

IP(EA), eV:

 -9.08(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations