Geometry & MOs

Info

ID:

118313

PubChem CID:

50637938

Reduced:

ClFO5N6C41H50 (1)

Stoich.:

ABC5D6E41F50 (1)

Weight, g/mol:

590.181124

ΔHf, kcal/mol:

-242.68

Dipole, Da:

5.91

IP(EA), eV:

 -8.55(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations