Geometry & MOs

Info

ID:

117474

PubChem CID:

50603964

Reduced:

Cl2O4N5C23H25 (1)

Stoich.:

A2B4C5D23E25 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-150.74

Dipole, Da:

5.75

IP(EA), eV:

 -9.23(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)Cl

DOS

IR

Vibrations