Geometry & MOs

Info

ID:

120085

PubChem CID:

50713279

Reduced:

ClFO4N5C29H37 (1)

Stoich.:

ABC4D5E29F37 (1)

Weight, g/mol:

589.22226

ΔHf, kcal/mol:

-218.68

Dipole, Da:

8.89

IP(EA), eV:

 -8.92(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl)F

DOS

IR

Vibrations